                      :-) GROMACS - gmx mdrun, 2021.5 (-:

                            GROMACS is written by:
     Andrey Alekseenko              Emile Apol              Rossen Apostolov     
         Paul Bauer           Herman J.C. Berendsen           Par Bjelkmar       
       Christian Blau           Viacheslav Bolnykh             Kevin Boyd        
     Aldert van Buuren           Rudi van Drunen             Anton Feenstra      
    Gilles Gouaillardet             Alan Gray               Gerrit Groenhof      
       Anca Hamuraru            Vincent Hindriksen          M. Eric Irrgang      
      Aleksei Iupinov           Christoph Junghans             Joe Jordan        
    Dimitrios Karkoulis            Peter Kasson                Jiri Kraus        
      Carsten Kutzner              Per Larsson              Justin A. Lemkul     
       Viveca Lindahl            Magnus Lundborg             Erik Marklund       
        Pascal Merz             Pieter Meulenhoff            Teemu Murtola       
        Szilard Pall               Sander Pronk              Roland Schulz       
       Michael Shirts            Alexey Shvetsov             Alfons Sijbers      
       Peter Tieleman              Jon Vincent              Teemu Virolainen     
     Christian Wennberg            Maarten Wolf              Artem Zhmurov       
                           and the project leaders:
        Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel

Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2019, The GROMACS development team at
Uppsala University, Stockholm University and
the Royal Institute of Technology, Sweden.
check out http://www.gromacs.org for more information.

GROMACS is free software; you can redistribute it and/or modify it
under the terms of the GNU Lesser General Public License
as published by the Free Software Foundation; either version 2.1
of the License, or (at your option) any later version.

GROMACS:      gmx mdrun, version 2021.5
Executable:   /usr/local/gromacs-2021/bin/gmx
Data prefix:  /usr/local/gromacs-2021
Working dir:  /home/romi/Desktop/2xwt-rs1-400ns/2xwt-rs1-310k-500ns
Process ID:   3497323
Command line:
  gmx mdrun -deffnm md_1_20 -cpi md_0_10.cpt -noappend -v

GROMACS version:    2021.5
Precision:          mixed
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled (GMX_OPENMP_MAX_THREADS = 64)
GPU support:        CUDA
SIMD instructions:  AVX2_256
FFT library:        fftw-3.3.8-sse2-avx-avx2-avx2_128
RDTSCP usage:       enabled
TNG support:        enabled
Hwloc support:      disabled
Tracing support:    disabled
C compiler:         /usr/bin/cc GNU 9.4.0
C compiler flags:   -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread -O3 -DNDEBUG
C++ compiler:       /usr/bin/c++ GNU 9.4.0
C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread SHELL:-fopenmp -O3 -DNDEBUG
CUDA compiler:      /usr/local/cuda/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2022 NVIDIA Corporation;Built on Thu_Feb_10_18:23:41_PST_2022;Cuda compilation tools, release 11.6, V11.6.112;Build cuda_11.6.r11.6/compiler.30978841_0
CUDA compiler flags:-std=c++17;-gencode;arch=compute_35,code=sm_35;-gencode;arch=compute_37,code=sm_37;-gencode;arch=compute_50,code=sm_50;-gencode;arch=compute_52,code=sm_52;-gencode;arch=compute_60,code=sm_60;-gencode;arch=compute_61,code=sm_61;-gencode;arch=compute_70,code=sm_70;-gencode;arch=compute_75,code=sm_75;-gencode;arch=compute_80,code=sm_80;-Wno-deprecated-gpu-targets;-gencode;arch=compute_86,code=sm_86;-gencode;arch=compute_35,code=compute_35;-gencode;arch=compute_53,code=compute_53;-gencode;arch=compute_80,code=compute_80;-use_fast_math;-D_FORCE_INLINES;-mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -pthread SHELL:-fopenmp -O3 -DNDEBUG
CUDA driver:        11.60
CUDA runtime:       11.60


Running on 1 node with total 20 cores, 20 logical cores, 1 compatible GPU
Hardware detected:
  CPU info:
    Vendor: Intel
    Brand:  12th Gen Intel(R) Core(TM) i7-12700K
    Family: 6   Model: 151   Stepping: 2
    Features: aes apic avx avx2 clfsh cmov cx8 cx16 f16c fma htt intel lahf mmx msr nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdrnd rdtscp sha sse2 sse3 sse4.1 sse4.2 ssse3 tdt x2apic
  Hardware topology: Only logical processor count
  GPU info:
    Number of GPUs detected: 1
    #0: NVIDIA NVIDIA GeForce RTX 3070 Ti, compute cap.: 8.6, ECC:  no, stat: compatible


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
M. J. Abraham, T. Murtola, R. Schulz, S. Páll, J. C. Smith, B. Hess, E.
Lindahl
GROMACS: High performance molecular simulations through multi-level
parallelism from laptops to supercomputers
SoftwareX 1 (2015) pp. 19-25
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Páll, M. J. Abraham, C. Kutzner, B. Hess, E. Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with
GROMACS
In S. Markidis & E. Laure (Eds.), Solving Software Challenges for Exascale 8759 (2015) pp. 3-27
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R.
Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl
GROMACS 4.5: a high-throughput and highly parallel open source molecular
simulation toolkit
Bioinformatics 29 (2013) pp. 845-54
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and C. Kutzner and D. van der Spoel and E. Lindahl
GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable
molecular simulation
J. Chem. Theory Comput. 4 (2008) pp. 435-447
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, A. E. Mark and H. J. C.
Berendsen
GROMACS: Fast, Flexible and Free
J. Comp. Chem. 26 (2005) pp. 1701-1719
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
E. Lindahl and B. Hess and D. van der Spoel
GROMACS 3.0: A package for molecular simulation and trajectory analysis
J. Mol. Mod. 7 (2001) pp. 306-317
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
H. J. C. Berendsen, D. van der Spoel and R. van Drunen
GROMACS: A message-passing parallel molecular dynamics implementation
Comp. Phys. Comm. 91 (1995) pp. 43-56
-------- -------- --- Thank You --- -------- --------


++++ PLEASE CITE THE DOI FOR THIS VERSION OF GROMACS ++++
https://doi.org/10.5281/zenodo.5850051
-------- -------- --- Thank You --- -------- --------

Input Parameters:
   integrator                     = md
   tinit                          = 0
   dt                             = 0.002
   nsteps                         = 250050000
   init-step                      = 0
   simulation-part                = 1
   mts                            = false
   comm-mode                      = Linear
   nstcomm                        = 100
   bd-fric                        = 0
   ld-seed                        = -1206362999
   emtol                          = 10
   emstep                         = 0.01
   niter                          = 20
   fcstep                         = 0
   nstcgsteep                     = 1000
   nbfgscorr                      = 10
   rtpi                           = 0.05
   nstxout                        = 0
   nstvout                        = 0
   nstfout                        = 0
   nstlog                         = 5000
   nstcalcenergy                  = 100
   nstenergy                      = 5000
   nstxout-compressed             = 5000
   compressed-x-precision         = 1000
   cutoff-scheme                  = Verlet
   nstlist                        = 10
   pbc                            = xyz
   periodic-molecules             = false
   verlet-buffer-tolerance        = 0.005
   rlist                          = 1
   coulombtype                    = PME
   coulomb-modifier               = Potential-shift
   rcoulomb-switch                = 0
   rcoulomb                       = 1
   epsilon-r                      = 1
   epsilon-rf                     = inf
   vdw-type                       = Cut-off
   vdw-modifier                   = Potential-shift
   rvdw-switch                    = 0
   rvdw                           = 1
   DispCorr                       = EnerPres
   table-extension                = 1
   fourierspacing                 = 0.16
   fourier-nx                     = 80
   fourier-ny                     = 80
   fourier-nz                     = 80
   pme-order                      = 4
   ewald-rtol                     = 1e-05
   ewald-rtol-lj                  = 0.001
   lj-pme-comb-rule               = Geometric
   ewald-geometry                 = 0
   epsilon-surface                = 0
   tcoupl                         = V-rescale
   nsttcouple                     = 10
   nh-chain-length                = 0
   print-nose-hoover-chain-variables = false
   pcoupl                         = Parrinello-Rahman
   pcoupltype                     = Isotropic
   nstpcouple                     = 10
   tau-p                          = 2
   compressibility (3x3):
      compressibility[    0]={ 4.50000e-05,  0.00000e+00,  0.00000e+00}
      compressibility[    1]={ 0.00000e+00,  4.50000e-05,  0.00000e+00}
      compressibility[    2]={ 0.00000e+00,  0.00000e+00,  4.50000e-05}
   ref-p (3x3):
      ref-p[    0]={ 1.00000e+00,  0.00000e+00,  0.00000e+00}
      ref-p[    1]={ 0.00000e+00,  1.00000e+00,  0.00000e+00}
      ref-p[    2]={ 0.00000e+00,  0.00000e+00,  1.00000e+00}
   refcoord-scaling               = No
   posres-com (3):
      posres-com[0]= 0.00000e+00
      posres-com[1]= 0.00000e+00
      posres-com[2]= 0.00000e+00
   posres-comB (3):
      posres-comB[0]= 0.00000e+00
      posres-comB[1]= 0.00000e+00
      posres-comB[2]= 0.00000e+00
   QMMM                           = false
qm-opts:
   ngQM                           = 0
   constraint-algorithm           = Lincs
   continuation                   = true
   Shake-SOR                      = false
   shake-tol                      = 0.0001
   lincs-order                    = 4
   lincs-iter                     = 1
   lincs-warnangle                = 30
   nwall                          = 0
   wall-type                      = 9-3
   wall-r-linpot                  = -1
   wall-atomtype[0]               = -1
   wall-atomtype[1]               = -1
   wall-density[0]                = 0
   wall-density[1]                = 0
   wall-ewald-zfac                = 3
   pull                           = false
   awh                            = false
   rotation                       = false
   interactiveMD                  = false
   disre                          = No
   disre-weighting                = Conservative
   disre-mixed                    = false
   dr-fc                          = 1000
   dr-tau                         = 0
   nstdisreout                    = 100
   orire-fc                       = 0
   orire-tau                      = 0
   nstorireout                    = 100
   free-energy                    = no
   cos-acceleration               = 0
   deform (3x3):
      deform[    0]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    1]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
      deform[    2]={ 0.00000e+00,  0.00000e+00,  0.00000e+00}
   simulated-tempering            = false
   swapcoords                     = no
   userint1                       = 0
   userint2                       = 0
   userint3                       = 0
   userint4                       = 0
   userreal1                      = 0
   userreal2                      = 0
   userreal3                      = 0
   userreal4                      = 0
   applied-forces:
     electric-field:
       x:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       y:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
       z:
         E0                       = 0
         omega                    = 0
         t0                       = 0
         sigma                    = 0
     density-guided-simulation:
       active                     = false
       group                      = protein
       similarity-measure         = inner-product
       atom-spreading-weight      = unity
       force-constant             = 1e+09
       gaussian-transform-spreading-width = 0.2
       gaussian-transform-spreading-range-in-multiples-of-width = 4
       reference-density-filename = reference.mrc
       nst                        = 1
       normalize-densities        = true
       adaptive-force-scaling     = false
       adaptive-force-scaling-time-constant = 4
grpopts:
   nrdf:     25662.7      245994
   ref-t:         310         310
   tau-t:         0.1         0.1
annealing:          No          No
annealing-npoints:           0           0
   acc:	           0           0           0
   nfreeze:           N           N           N
   energygrp-flags[  0]: 0


Reading checkpoint file md_0_10.cpt
  file generated by:     /usr/local/gromacs/bin/gmx
  file generated at:     Wed Apr 24 07:24:20 2024

  GROMACS double prec.:  0
  simulation part #:     1
  step:                  192753900
  time:                  385507.800000

  Version mismatch,
    current program: 2021.5
    checkpoint file: 2020.4

The current GROMACS major version is not identical to the one that
generated the checkpoint file. In principle GROMACS does not support
continuation from checkpoints between different versions, so we advise
against this. If you still want to try your luck we recommend that you use
the -noappend flag to keep your output files from the two versions separate.
This might also work around errors where the output fields in the energy
file have changed between the different versions.

Changing nstlist from 10 to 100, rlist from 1 to 1.163

1 GPU selected for this run.
Mapping of GPU IDs to the 2 GPU tasks in the 1 rank on this node:
  PP:0,PME:0
PP tasks will do (non-perturbed) short-ranged interactions on the GPU
PP task will update and constrain coordinates on the CPU
PME tasks will do all aspects on the GPU
Using 1 MPI thread
Using 20 OpenMP threads 

Pinning threads with an auto-selected logical core stride of 1
System total charge: 0.000
Will do PME sum in reciprocal space for electrostatic interactions.

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen 
A smooth particle mesh Ewald method
J. Chem. Phys. 103 (1995) pp. 8577-8592
-------- -------- --- Thank You --- -------- --------

Using a Gaussian width (1/beta) of 0.320163 nm for Ewald
Potential shift: LJ r^-12: -1.000e+00 r^-6: -1.000e+00, Ewald -1.000e-05
Initialized non-bonded Ewald tables, spacing: 9.33e-04 size: 1073

Generated table with 1081 data points for 1-4 COUL.
Tabscale = 500 points/nm
Generated table with 1081 data points for 1-4 LJ6.
Tabscale = 500 points/nm
Generated table with 1081 data points for 1-4 LJ12.
Tabscale = 500 points/nm
Long Range LJ corr.: <C6> 3.2562e-04


Using GPU 8x8 nonbonded short-range kernels

Using a dual 8x8 pair-list setup updated with dynamic, rolling pruning:
  outer list: updated every 100 steps, buffer 0.163 nm, rlist 1.163 nm
  inner list: updated every  12 steps, buffer 0.006 nm, rlist 1.006 nm
At tolerance 0.005 kJ/mol/ps per atom, equivalent classical 1x1 list would be:
  outer list: updated every 100 steps, buffer 0.317 nm, rlist 1.317 nm
  inner list: updated every  12 steps, buffer 0.055 nm, rlist 1.055 nm

Using Lorentz-Berthelot Lennard-Jones combination rule

Initializing LINear Constraint Solver

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije
LINCS: A Linear Constraint Solver for molecular simulations
J. Comp. Chem. 18 (1997) pp. 1463-1472
-------- -------- --- Thank You --- -------- --------

The number of constraints is 5102

++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
S. Miyamoto and P. A. Kollman
SETTLE: An Analytical Version of the SHAKE and RATTLE Algorithms for Rigid
Water Models
J. Comp. Chem. 13 (1992) pp. 952-962
-------- -------- --- Thank You --- -------- --------


++++ PLEASE READ AND CITE THE FOLLOWING REFERENCE ++++
G. Bussi, D. Donadio and M. Parrinello
Canonical sampling through velocity rescaling
J. Chem. Phys. 126 (2007) pp. 014101
-------- -------- --- Thank You --- -------- --------

There are: 133250 Atoms
Center of mass motion removal mode is Linear
We have the following groups for center of mass motion removal:
  0:  rest

Started mdrun on rank 0 Tue Jun 11 09:39:11 2024

           Step           Time
      192755000   385510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30131e+03    2.39244e+04    1.63268e+04    1.45067e+03   -4.19159e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18694e+03    1.45277e+05    2.77025e+05   -1.78129e+04   -2.19392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22523e+04   -1.72418e+06    3.51059e+05   -1.37312e+06    1.86322e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10853e+02   -2.18096e+02    1.60923e+02    3.49605e-06

step 192757700: timed with pme grid 80 80 80, coulomb cutoff 1.000: 442.0 M-cycles
step 192757900: timed with pme grid 64 64 64, coulomb cutoff 1.213: 598.9 M-cycles
step 192758100: timed with pme grid 72 72 72, coulomb cutoff 1.078: 509.3 M-cycles
step 192758300: timed with pme grid 80 80 80, coulomb cutoff 1.000: 476.1 M-cycles
              optimal pme grid 80 80 80, coulomb cutoff 1.000
           Step           Time
      192760000   385520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49499e+03    2.39627e+04    1.63476e+04    1.39243e+03   -4.33693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05674e+03    1.45459e+05    2.72413e+05   -1.78156e+04   -2.18685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22573e+04   -1.72162e+06    3.52923e+05   -1.36870e+06    1.86329e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12504e+02   -2.18163e+02   -2.34071e+01    3.62465e-06

           Step           Time
      192765000   385530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60473e+03    2.37699e+04    1.63864e+04    1.37386e+03   -4.26151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03428e+03    1.45211e+05    2.76471e+05   -1.77929e+04   -2.19456e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23292e+04   -1.72543e+06    3.49081e+05   -1.37635e+06    1.86341e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09101e+02   -2.17606e+02    2.86260e+01    3.40647e-06

           Step           Time
      192770000   385540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47718e+03    2.39146e+04    1.63759e+04    1.36647e+03   -4.17707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03439e+03    1.45465e+05    2.72883e+05   -1.78519e+04   -2.18913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23217e+04   -1.72333e+06    3.49132e+05   -1.37419e+06    1.86352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09147e+02   -2.19051e+02   -1.16973e+02    3.41314e-06

           Step           Time
      192775000   385550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19843e+03    2.33377e+04    1.62281e+04    1.44826e+03   -4.19622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17513e+03    1.45089e+05    2.72718e+05   -1.78203e+04   -2.18791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24003e+04   -1.72334e+06    3.48799e+05   -1.37454e+06    1.86351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08852e+02   -2.18278e+02   -1.21939e+01    3.44762e-06

           Step           Time
      192780000   385560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45257e+03    2.33558e+04    1.65039e+04    1.41905e+03   -4.45796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.85742e+03    1.45085e+05    2.74368e+05   -1.78436e+04   -2.19280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22452e+04   -1.72682e+06    3.48573e+05   -1.37824e+06    1.86363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08651e+02   -2.18848e+02   -1.13319e+02    3.57027e-06

           Step           Time
      192785000   385570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41867e+03    2.36269e+04    1.63368e+04    1.39441e+03   -4.29364e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04593e+03    1.45492e+05    2.74446e+05   -1.78039e+04   -2.19418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22916e+04   -1.72722e+06    3.49609e+05   -1.37761e+06    1.86376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09569e+02   -2.17875e+02   -6.53083e+01    3.53000e-06

           Step           Time
      192790000   385580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49935e+03    2.35080e+04    1.64042e+04    1.41092e+03   -4.24654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12149e+03    1.45590e+05    2.73743e+05   -1.77684e+04   -2.18854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21766e+04   -1.72210e+06    3.50819e+05   -1.37128e+06    1.86379e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10640e+02   -2.17010e+02    1.61164e+00    3.61892e-06

           Step           Time
      192795000   385590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48915e+03    2.35836e+04    1.64597e+04    1.40036e+03   -4.18497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17931e+03    1.44949e+05    2.74513e+05   -1.78100e+04   -2.19242e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21667e+04   -1.72568e+06    3.51379e+05   -1.37430e+06    1.86387e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11136e+02   -2.18026e+02   -3.34436e+01    3.43078e-06

           Step           Time
      192800000   385600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22150e+03    2.39601e+04    1.61889e+04    1.34822e+03   -4.21709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19738e+03    1.45485e+05    2.72258e+05   -1.78282e+04   -2.19035e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20618e+04   -1.72567e+06    3.50721e+05   -1.37495e+06    1.86398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10554e+02   -2.18469e+02   -7.81532e+01    3.51278e-06

           Step           Time
      192805000   385610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47971e+03    2.33785e+04    1.61986e+04    1.39429e+03   -4.08053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22974e+03    1.45717e+05    2.71790e+05   -1.77867e+04   -2.18711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20418e+04   -1.72275e+06    3.48918e+05   -1.37383e+06    1.86406e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08957e+02   -2.17456e+02   -1.72427e+02    3.50958e-06

           Step           Time
      192810000   385620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17827e+03    2.31832e+04    1.61953e+04    1.44715e+03   -4.20114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25408e+03    1.45677e+05    2.74520e+05   -1.78351e+04   -2.19160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21814e+04   -1.72500e+06    3.49719e+05   -1.37528e+06    1.86413e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09667e+02   -2.18640e+02    1.06197e+02    3.57400e-06

           Step           Time
      192815000   385630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38278e+03    2.40314e+04    1.64187e+04    1.36447e+03   -4.14503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22643e+03    1.45172e+05    2.73941e+05   -1.78214e+04   -2.19067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23766e+04   -1.72372e+06    3.48442e+05   -1.37528e+06    1.86425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08536e+02   -2.18305e+02   -1.22795e+01    3.63993e-06

           Step           Time
      192820000   385640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61880e+03    2.37661e+04    1.64025e+04    1.37048e+03   -4.24503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18919e+03    1.45695e+05    2.71950e+05   -1.78258e+04   -2.18900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22040e+04   -1.72388e+06    3.49952e+05   -1.37392e+06    1.86432e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09873e+02   -2.18410e+02   -3.22286e+01    3.59164e-06

           Step           Time
      192825000   385650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27472e+03    2.38610e+04    1.60860e+04    1.45167e+03   -4.18721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14630e+03    1.45331e+05    2.77369e+05   -1.78679e+04   -2.19893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23071e+04   -1.72916e+06    3.50472e+05   -1.37869e+06    1.86441e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10333e+02   -2.19443e+02    9.19782e+01    3.46084e-06

           Step           Time
      192830000   385660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44771e+03    2.36196e+04    1.64061e+04    1.43971e+03   -4.24411e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09040e+03    1.45542e+05    2.72812e+05   -1.77960e+04   -2.18876e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22341e+04   -1.72321e+06    3.49252e+05   -1.37395e+06    1.86444e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09253e+02   -2.17684e+02   -5.01659e+01    3.52438e-06

           Step           Time
      192835000   385670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16245e+03    2.38241e+04    1.62251e+04    1.30153e+03   -4.17921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23353e+03    1.45041e+05    2.77306e+05   -1.78233e+04   -2.19398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21688e+04   -1.72472e+06    3.49454e+05   -1.37527e+06    1.86456e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09432e+02   -2.18350e+02    1.50052e+02    3.50826e-06

           Step           Time
      192840000   385680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40845e+03    2.31752e+04    1.64543e+04    1.41124e+03   -4.12344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22231e+03    1.45915e+05    2.72054e+05   -1.78290e+04   -2.18908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22050e+04   -1.72419e+06    3.49703e+05   -1.37449e+06    1.86463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09652e+02   -2.18490e+02   -9.52054e+01    3.42779e-06

           Step           Time
      192845000   385690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63331e+03    2.37236e+04    1.64979e+04    1.39276e+03   -4.29994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96577e+03    1.45337e+05    2.74979e+05   -1.78558e+04   -2.19142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20472e+04   -1.72400e+06    3.51020e+05   -1.37298e+06    1.86470e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10819e+02   -2.19146e+02    4.24992e+01    3.60672e-06

           Step           Time
      192850000   385700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33955e+03    2.42662e+04    1.64881e+04    1.43314e+03   -4.25791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21747e+03    1.45417e+05    2.73533e+05   -1.78737e+04   -2.18917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22528e+04   -1.72236e+06    3.50201e+05   -1.37215e+06    1.86484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10093e+02   -2.19586e+02    1.45283e+02    3.46336e-06

           Step           Time
      192855000   385710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23409e+03    2.39969e+04    1.60657e+04    1.36618e+03   -4.18623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21833e+03    1.44921e+05    2.72346e+05   -1.78259e+04   -2.19065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20762e+04   -1.72644e+06    3.48930e+05   -1.37751e+06    1.86491e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08967e+02   -2.18414e+02   -2.30317e+01    3.22883e-06

           Step           Time
      192860000   385720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50570e+03    2.31887e+04    1.63019e+04    1.34977e+03   -4.15247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.97495e+03    1.45293e+05    2.76668e+05   -1.78580e+04   -2.19668e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21348e+04   -1.72827e+06    3.50385e+05   -1.37789e+06    1.86495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10256e+02   -2.19201e+02   -1.13657e+01    3.52459e-06

           Step           Time
      192865000   385730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35848e+03    2.35384e+04    1.63442e+04    1.34086e+03   -4.26944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09910e+03    1.45428e+05    2.75557e+05   -1.78015e+04   -2.19202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23276e+04   -1.72410e+06    3.48879e+05   -1.37522e+06    1.86502e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08923e+02   -2.17817e+02    7.34417e+00    3.51869e-06

           Step           Time
      192870000   385740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45983e+03    2.41500e+04    1.61982e+04    1.42209e+03   -4.28348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05912e+03    1.45018e+05    2.73788e+05   -1.77868e+04   -2.18774e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22099e+04   -1.72150e+06    3.48783e+05   -1.37272e+06    1.86518e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08838e+02   -2.17459e+02   -4.19051e+01    3.55195e-06

           Step           Time
      192875000   385750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22419e+03    2.37504e+04    1.62340e+04    1.35334e+03   -4.40004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17141e+03    1.44946e+05    2.73000e+05   -1.78184e+04   -2.18922e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23479e+04   -1.72441e+06    3.50066e+05   -1.37434e+06    1.86523e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.18231e+02    1.18674e+01    3.58566e-06

           Step           Time
      192880000   385760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20020e+03    2.33262e+04    1.64386e+04    1.44652e+03   -4.19412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23623e+03    1.45793e+05    2.73838e+05   -1.78385e+04   -2.19283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20292e+04   -1.72656e+06    3.49279e+05   -1.37728e+06    1.86528e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09276e+02   -2.18723e+02   -2.80788e+01    3.41916e-06

           Step           Time
      192885000   385770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22496e+03    2.33697e+04    1.64178e+04    1.37579e+03   -4.28546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24587e+03    1.45079e+05    2.74836e+05   -1.78554e+04   -2.19215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21478e+04   -1.72560e+06    3.49933e+05   -1.37567e+06    1.86537e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09856e+02   -2.19137e+02    8.08455e+01    3.53027e-06

           Step           Time
      192890000   385780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33501e+03    2.36535e+04    1.63679e+04    1.36135e+03   -4.28106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18539e+03    1.45072e+05    2.74171e+05   -1.78270e+04   -2.19221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22638e+04   -1.72591e+06    3.50074e+05   -1.37584e+06    1.86544e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09981e+02   -2.18440e+02    1.82674e+01    3.56982e-06

           Step           Time
      192895000   385790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34667e+03    2.40062e+04    1.62434e+04    1.43233e+03   -4.30035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21718e+03    1.45174e+05    2.70647e+05   -1.78097e+04   -2.18674e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20956e+04   -1.72369e+06    3.51114e+05   -1.37257e+06    1.86552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10901e+02   -2.18017e+02   -1.07189e+02    3.50511e-06

           Step           Time
      192900000   385800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24852e+03    2.36423e+04    1.62412e+04    1.38879e+03   -4.32853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.39288e+03    1.45403e+05    2.73527e+05   -1.78593e+04   -2.19206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23116e+04   -1.72609e+06    3.50983e+05   -1.37511e+06    1.86563e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10786e+02   -2.19233e+02    5.39712e+01    3.46350e-06

           Step           Time
      192905000   385810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26980e+03    2.37840e+04    1.61986e+04    1.31518e+03   -4.24212e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05443e+03    1.45492e+05    2.77855e+05   -1.78388e+04   -2.19742e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21586e+04   -1.72737e+06    3.50257e+05   -1.37711e+06    1.86571e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10142e+02   -2.18731e+02    1.29792e+02    3.45567e-06

           Step           Time
      192910000   385820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39779e+03    2.37164e+04    1.62275e+04    1.43467e+03   -4.16247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06168e+03    1.45341e+05    2.75296e+05   -1.78479e+04   -2.19258e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.72497e+06    3.49611e+05   -1.37536e+06    1.86578e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09570e+02   -2.18954e+02    1.28744e+01    3.45819e-06

           Step           Time
      192915000   385830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35023e+03    2.38029e+04    1.63271e+04    1.45092e+03   -4.22600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13499e+03    1.45946e+05    2.73201e+05   -1.78284e+04   -2.19052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22395e+04   -1.72412e+06    3.50962e+05   -1.37315e+06    1.86585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10767e+02   -2.18474e+02   -6.49775e+01    3.56675e-06

           Step           Time
      192920000   385840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67437e+03    2.36424e+04    1.63019e+04    1.38480e+03   -4.35588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12058e+03    1.45143e+05    2.74590e+05   -1.78009e+04   -2.19148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22245e+04   -1.72456e+06    3.50196e+05   -1.37436e+06    1.86596e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10089e+02   -2.17803e+02   -1.83464e+01    3.70430e-06

           Step           Time
      192925000   385850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53053e+03    2.35382e+04    1.62129e+04    1.39232e+03   -4.28954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07106e+03    1.45871e+05    2.73730e+05   -1.77835e+04   -2.19049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21901e+04   -1.72403e+06    3.50109e+05   -1.37392e+06    1.86601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10011e+02   -2.17377e+02   -7.67290e+01    3.61858e-06

           Step           Time
      192930000   385860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39378e+03    2.38215e+04    1.62050e+04    1.29779e+03   -4.21593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07038e+03    1.45790e+05    2.74455e+05   -1.78555e+04   -2.19272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21965e+04   -1.72556e+06    3.49049e+05   -1.37651e+06    1.86612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09073e+02   -2.19138e+02    1.77299e+01    3.44330e-06

           Step           Time
      192935000   385870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59032e+03    2.39604e+04    1.62614e+04    1.32631e+03   -4.23091e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09573e+03    1.45468e+05    2.74192e+05   -1.78676e+04   -2.19019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22977e+04   -1.72310e+06    3.49688e+05   -1.37341e+06    1.86617e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09639e+02   -2.19437e+02    8.65911e+01    3.46953e-06

           Step           Time
      192940000   385880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29846e+03    2.31750e+04    1.61786e+04    1.37560e+03   -4.30357e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22288e+03    1.45677e+05    2.74303e+05   -1.78257e+04   -2.19332e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21551e+04   -1.72706e+06    3.49500e+05   -1.37756e+06    1.86619e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09473e+02   -2.18409e+02    3.26452e+01    3.62322e-06

           Step           Time
      192945000   385890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38393e+03    2.40583e+04    1.61813e+04    1.43346e+03   -4.24875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19661e+03    1.45012e+05    2.73498e+05   -1.78077e+04   -2.19046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.72467e+06    3.51193e+05   -1.37347e+06    1.86636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10972e+02   -2.17969e+02   -4.63170e+01    3.55654e-06

           Step           Time
      192950000   385900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23236e+03    2.32896e+04    1.63229e+04    1.37916e+03   -4.17893e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18657e+03    1.45649e+05    2.71694e+05   -1.78287e+04   -2.18744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20703e+04   -1.72363e+06    3.50346e+05   -1.37328e+06    1.86641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10222e+02   -2.18483e+02   -6.44131e+01    3.51442e-06

           Step           Time
      192955000   385910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27352e+03    2.37582e+04    1.62641e+04    1.45527e+03   -4.21414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10198e+03    1.45235e+05    2.74989e+05   -1.78084e+04   -2.19266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22545e+04   -1.72535e+06    3.49604e+05   -1.37575e+06    1.86652e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09565e+02   -2.17985e+02    2.76900e+01    3.60315e-06

           Step           Time
      192960000   385920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12098e+03    2.37797e+04    1.63027e+04    1.39545e+03   -4.28663e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16314e+03    1.45545e+05    2.72862e+05   -1.78482e+04   -2.18848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22021e+04   -1.72324e+06    3.49986e+05   -1.37325e+06    1.86658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09903e+02   -2.18961e+02    2.37354e+01    3.57324e-06

           Step           Time
      192965000   385930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15042e+03    2.35742e+04    1.63407e+04    1.43931e+03   -4.15990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20011e+03    1.45154e+05    2.75816e+05   -1.78526e+04   -2.19512e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22123e+04   -1.72724e+06    3.49095e+05   -1.37815e+06    1.86665e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09114e+02   -2.19069e+02    6.06478e+01    3.47050e-06

           Step           Time
      192970000   385940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16141e+03    2.35809e+04    1.62935e+04    1.42413e+03   -4.27043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21058e+03    1.45160e+05    2.74220e+05   -1.78640e+04   -2.19274e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21644e+04   -1.72666e+06    3.48432e+05   -1.37822e+06    1.86674e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08527e+02   -2.19347e+02    4.16489e+01    3.61595e-06

           Step           Time
      192975000   385950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39155e+03    2.35378e+04    1.61941e+04    1.50968e+03   -4.27630e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11173e+03    1.45368e+05    2.75660e+05   -1.78642e+04   -2.19424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20528e+04   -1.72656e+06    3.50821e+05   -1.37574e+06    1.86680e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.19352e+02    8.19587e+01    3.72969e-06

           Step           Time
      192980000   385960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45284e+03    2.36358e+04    1.62493e+04    1.51911e+03   -4.13332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04030e+03    1.44994e+05    2.77198e+05   -1.78037e+04   -2.19443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22411e+04   -1.72504e+06    3.48990e+05   -1.37605e+06    1.86689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09021e+02   -2.17870e+02    6.92365e+01    3.53369e-06

           Step           Time
      192985000   385970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28277e+03    2.37666e+04    1.65287e+04    1.45171e+03   -4.38728e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11996e+03    1.45455e+05    2.74416e+05   -1.78113e+04   -2.19057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22566e+04   -1.72349e+06    3.51614e+05   -1.37188e+06    1.86695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11344e+02   -2.18056e+02   -1.30015e+01    3.55345e-06

           Step           Time
      192990000   385980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33810e+03    2.38457e+04    1.63704e+04    1.36033e+03   -4.25143e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08383e+03    1.45163e+05    2.76803e+05   -1.78421e+04   -2.19279e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22518e+04   -1.72366e+06    3.50661e+05   -1.37300e+06    1.86702e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.18811e+02    1.92156e+02    3.55910e-06

           Step           Time
      192995000   385990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25224e+03    2.40678e+04    1.63351e+04    1.41320e+03   -4.12736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22503e+03    1.45566e+05    2.73219e+05   -1.78310e+04   -2.19051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20298e+04   -1.72436e+06    3.51226e+05   -1.37313e+06    1.86712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11001e+02   -2.18539e+02   -1.85303e+01    3.43303e-06

           Step           Time
      193000000   386000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20054e+03    2.42772e+04    1.64375e+04    1.35843e+03   -4.16033e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.34630e+03    1.45201e+05    2.72332e+05   -1.78266e+04   -2.18603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24161e+04   -1.72045e+06    3.50953e+05   -1.36950e+06    1.86718e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.18432e+02    5.95651e+01    3.62103e-06

           Step           Time
      193005000   386010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63998e+03    2.40740e+04    1.62031e+04    1.39898e+03   -4.31137e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02435e+03    1.45410e+05    2.72291e+05   -1.77882e+04   -2.18865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25371e+04   -1.72317e+06    3.51218e+05   -1.37195e+06    1.86728e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10994e+02   -2.17493e+02   -1.37401e+02    3.50558e-06

           Step           Time
      193010000   386020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63438e+03    2.33664e+04    1.63136e+04    1.42386e+03   -4.23513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16146e+03    1.45420e+05    2.77157e+05   -1.77999e+04   -2.19263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23331e+04   -1.72286e+06    3.50747e+05   -1.37211e+06    1.86735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10577e+02   -2.17779e+02    7.05261e+01    3.60054e-06

           Step           Time
      193015000   386030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45319e+03    2.39019e+04    1.64045e+04    1.46258e+03   -4.20449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11382e+03    1.45146e+05    2.73706e+05   -1.78513e+04   -2.19149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22470e+04   -1.72511e+06    3.51963e+05   -1.37314e+06    1.86741e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.19036e+02    3.52006e+01    3.55099e-06

           Step           Time
      193020000   386040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60602e+03    2.33193e+04    1.63873e+04    1.32607e+03   -4.17988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11769e+03    1.45945e+05    2.73436e+05   -1.77609e+04   -2.18907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24467e+04   -1.72243e+06    3.52154e+05   -1.37027e+06    1.86752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11823e+02   -2.16825e+02   -9.73494e+01    3.68608e-06

           Step           Time
      193025000   386050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32469e+03    2.39406e+04    1.61605e+04    1.40426e+03   -4.20173e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14647e+03    1.45574e+05    2.72579e+05   -1.78342e+04   -2.18914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22471e+04   -1.72380e+06    3.51670e+05   -1.37213e+06    1.86760e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.18618e+02   -4.06142e+01    3.72237e-06

           Step           Time
      193030000   386060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44808e+03    2.35793e+04    1.64396e+04    1.36148e+03   -4.23456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18380e+03    1.44884e+05    2.71590e+05   -1.77801e+04   -2.18813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22573e+04   -1.72440e+06    3.49024e+05   -1.37538e+06    1.86768e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09051e+02   -2.17294e+02   -1.43334e+02    3.58645e-06

           Step           Time
      193035000   386070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25904e+03    2.40249e+04    1.64621e+04    1.46333e+03   -4.25555e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14572e+03    1.45648e+05    2.74461e+05   -1.78411e+04   -2.19110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22892e+04   -1.72344e+06    3.49732e+05   -1.37371e+06    1.86777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09678e+02   -2.18785e+02    7.19243e+01    3.54978e-06

           Step           Time
      193040000   386080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13828e+03    2.42523e+04    1.61606e+04    1.44420e+03   -4.32631e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10643e+03    1.45200e+05    2.76047e+05   -1.78218e+04   -2.19312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23876e+04   -1.72453e+06    3.49143e+05   -1.37539e+06    1.86781e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09156e+02   -2.18314e+02    1.15887e+02    3.50793e-06

           Step           Time
      193045000   386090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34315e+03    2.34468e+04    1.63643e+04    1.31173e+03   -4.23197e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24461e+03    1.45144e+05    2.74625e+05   -1.78362e+04   -2.19020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21912e+04   -1.72360e+06    3.48789e+05   -1.37481e+06    1.86792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08843e+02   -2.18667e+02    1.06660e+02    3.47743e-06

           Step           Time
      193050000   386100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37214e+03    2.39125e+04    1.63077e+04    1.40123e+03   -4.24662e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08895e+03    1.45220e+05    2.72230e+05   -1.78428e+04   -2.18747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22731e+04   -1.72275e+06    3.49478e+05   -1.37327e+06    1.86800e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09453e+02   -2.18829e+02   -4.89404e+01    3.50412e-06

           Step           Time
      193055000   386110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31681e+03    2.33730e+04    1.62700e+04    1.41134e+03   -4.25560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26340e+03    1.45525e+05    2.75424e+05   -1.78244e+04   -2.19353e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20314e+04   -1.72599e+06    3.49749e+05   -1.37624e+06    1.86806e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.18377e+02    8.57149e+01    3.53739e-06

           Step           Time
      193060000   386120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22414e+03    2.35220e+04    1.62619e+04    1.40914e+03   -4.21825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14083e+03    1.45148e+05    2.75405e+05   -1.78251e+04   -2.19337e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22323e+04   -1.72607e+06    3.50129e+05   -1.37594e+06    1.86814e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10030e+02   -2.18395e+02    4.06557e+01    3.47035e-06

           Step           Time
      193065000   386130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31835e+03    2.36930e+04    1.63857e+04    1.37723e+03   -4.28666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19215e+03    1.44555e+05    2.74282e+05   -1.78163e+04   -2.19121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23409e+04   -1.72517e+06    3.51900e+05   -1.37327e+06    1.86822e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11597e+02   -2.18178e+02    2.65880e+01    3.57150e-06

           Step           Time
      193070000   386140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17413e+03    2.36936e+04    1.62869e+04    1.42828e+03   -4.17092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06682e+03    1.44994e+05    2.75195e+05   -1.78465e+04   -2.19355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20137e+04   -1.72672e+06    3.48578e+05   -1.37814e+06    1.86835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08656e+02   -2.18917e+02    2.67613e+01    3.54992e-06

           Step           Time
      193075000   386150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28202e+03    2.34436e+04    1.63394e+04    1.33059e+03   -4.26131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24819e+03    1.45285e+05    2.73489e+05   -1.78398e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23164e+04   -1.72531e+06    3.50915e+05   -1.37440e+06    1.86845e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10726e+02   -2.18754e+02    8.32641e+00    3.53059e-06

           Step           Time
      193080000   386160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12684e+03    2.35279e+04    1.63321e+04    1.41080e+03   -4.25737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12208e+03    1.45001e+05    2.73016e+05   -1.78081e+04   -2.19025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21861e+04   -1.72559e+06    3.48816e+05   -1.37678e+06    1.86851e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08867e+02   -2.17979e+02   -8.18775e+01    3.66690e-06

           Step           Time
      193085000   386170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12687e+03    2.36982e+04    1.63065e+04    1.41222e+03   -4.21016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24593e+03    1.45326e+05    2.73160e+05   -1.77911e+04   -2.18816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23322e+04   -1.72255e+06    3.49310e+05   -1.37324e+06    1.86858e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09304e+02   -2.17564e+02    4.29063e+01    3.59421e-06

           Step           Time
      193090000   386180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28392e+03    2.35542e+04    1.63739e+04    1.51288e+03   -4.36606e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06982e+03    1.45090e+05    2.72187e+05   -1.78476e+04   -2.19013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23243e+04   -1.72595e+06    3.49429e+05   -1.37652e+06    1.86867e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09410e+02   -2.18944e+02   -1.38609e+02    3.61248e-06

           Step           Time
      193095000   386190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37425e+03    2.34635e+04    1.62714e+04    1.40077e+03   -4.25951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15844e+03    1.45294e+05    2.71396e+05   -1.78180e+04   -2.18816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20961e+04   -1.72478e+06    3.50360e+05   -1.37442e+06    1.86877e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.18221e+02   -1.08606e+02    3.70366e-06

           Step           Time
      193100000   386200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42979e+03    2.35424e+04    1.63754e+04    1.36197e+03   -4.30622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13648e+03    1.45465e+05    2.73284e+05   -1.78767e+04   -2.19160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22492e+04   -1.72594e+06    3.48710e+05   -1.37723e+06    1.86889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08773e+02   -2.19659e+02   -4.24856e+01    3.65589e-06

           Step           Time
      193105000   386210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10439e+03    2.41064e+04    1.62554e+04    1.38945e+03   -4.20751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22898e+03    1.45393e+05    2.73592e+05   -1.78127e+04   -2.18889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22637e+04   -1.72258e+06    3.48484e+05   -1.37410e+06    1.86897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08573e+02   -2.18092e+02    4.77380e+01    3.48290e-06

           Step           Time
      193110000   386220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34542e+03    2.36086e+04    1.62910e+04    1.44620e+03   -4.33390e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22049e+03    1.46014e+05    2.77348e+05   -1.78385e+04   -2.19511e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24744e+04   -1.72453e+06    3.50657e+05   -1.37388e+06    1.86904e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.18723e+02    1.82689e+02    3.62063e-06

           Step           Time
      193115000   386230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60379e+03    2.33835e+04    1.64472e+04    1.33911e+03   -4.37139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07054e+03    1.44956e+05    2.74581e+05   -1.78515e+04   -2.19345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21121e+04   -1.72718e+06    3.48766e+05   -1.37841e+06    1.86911e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08823e+02   -2.19042e+02   -4.10754e+01    3.61327e-06

           Step           Time
      193120000   386240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40831e+03    2.37458e+04    1.63166e+04    1.44671e+03   -4.30095e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11975e+03    1.45590e+05    2.71327e+05   -1.78022e+04   -2.18926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23170e+04   -1.72509e+06    3.49682e+05   -1.37541e+06    1.86920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09634e+02   -2.17835e+02   -1.19639e+02    3.50958e-06

           Step           Time
      193125000   386250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48515e+03    2.35797e+04    1.63548e+04    1.48189e+03   -4.23278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01797e+03    1.45123e+05    2.72533e+05   -1.78221e+04   -2.19004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21747e+04   -1.72535e+06    3.49696e+05   -1.37565e+06    1.86924e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09646e+02   -2.18322e+02   -1.16425e+02    3.51263e-06

           Step           Time
      193130000   386260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33994e+03    2.37071e+04    1.62635e+04    1.37722e+03   -4.28696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06300e+03    1.45901e+05    2.76838e+05   -1.78376e+04   -2.19494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22405e+04   -1.72533e+06    3.50142e+05   -1.37519e+06    1.86935e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10041e+02   -2.18701e+02    1.18532e+02    3.56613e-06

           Step           Time
      193135000   386270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31789e+03    2.35502e+04    1.64092e+04    1.36668e+03   -4.27064e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09416e+03    1.45848e+05    2.74354e+05   -1.78344e+04   -2.19248e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22923e+04   -1.72536e+06    3.49717e+05   -1.37564e+06    1.86938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09665e+02   -2.18621e+02   -1.05240e+01    3.51964e-06

           Step           Time
      193140000   386280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27650e+03    2.36749e+04    1.63385e+04    1.45679e+03   -4.30998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16519e+03    1.45157e+05    2.75564e+05   -1.78568e+04   -2.19583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21916e+04   -1.72818e+06    3.49528e+05   -1.37865e+06    1.86948e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09497e+02   -2.19171e+02    5.94140e+01    3.58783e-06

           Step           Time
      193145000   386290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21938e+03    2.35795e+04    1.62629e+04    1.43913e+03   -4.26139e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26609e+03    1.46074e+05    2.77060e+05   -1.78390e+04   -2.19541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21818e+04   -1.72543e+06    3.49401e+05   -1.37603e+06    1.86957e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09385e+02   -2.18736e+02    1.43080e+02    3.39783e-06

           Step           Time
      193150000   386300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46446e+03    2.32635e+04    1.63796e+04    1.45215e+03   -4.23727e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12299e+03    1.45616e+05    2.74163e+05   -1.78440e+04   -2.19410e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23100e+04   -1.72741e+06    3.49257e+05   -1.37815e+06    1.86965e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09257e+02   -2.18856e+02   -6.23822e+01    3.69667e-06

           Step           Time
      193155000   386310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44887e+03    2.36635e+04    1.64097e+04    1.35927e+03   -4.29885e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11924e+03    1.45499e+05    2.71210e+05   -1.77969e+04   -2.18853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21083e+04   -1.72481e+06    3.49508e+05   -1.37530e+06    1.86971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09480e+02   -2.17706e+02   -1.24259e+02    3.53109e-06

           Step           Time
      193160000   386320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.64308e+03    2.32012e+04    1.63051e+04    1.40141e+03   -4.21067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17720e+03    1.45598e+05    2.76181e+05   -1.78340e+04   -2.19530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21719e+04   -1.72666e+06    3.51897e+05   -1.37477e+06    1.86978e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11595e+02   -2.18612e+02    5.11865e+01    3.62005e-06

           Step           Time
      193165000   386330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40663e+03    2.40115e+04    1.61690e+04    1.41084e+03   -4.30734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02303e+03    1.45432e+05    2.70771e+05   -1.78488e+04   -2.18850e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22119e+04   -1.72522e+06    3.50444e+05   -1.37477e+06    1.86988e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10308e+02   -2.18974e+02   -1.25994e+02    3.66703e-06

           Step           Time
      193170000   386340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32540e+03    2.36358e+04    1.62396e+04    1.38855e+03   -4.24527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13585e+03    1.45616e+05    2.73091e+05   -1.78004e+04   -2.19004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23276e+04   -1.72433e+06    3.49353e+05   -1.37497e+06    1.86994e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09343e+02   -2.17789e+02   -8.21998e+01    3.55583e-06

           Step           Time
      193175000   386350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45955e+03    2.36415e+04    1.61863e+04    1.35178e+03   -4.35547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04844e+03    1.45537e+05    2.73379e+05   -1.78037e+04   -2.19005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21903e+04   -1.72441e+06    3.51096e+05   -1.37332e+06    1.87002e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.17870e+02   -6.40282e+01    3.56327e-06

           Step           Time
      193180000   386360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59980e+03    2.38960e+04    1.64287e+04    1.51378e+03   -4.28745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22250e+03    1.44924e+05    2.75527e+05   -1.78436e+04   -2.19234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21188e+04   -1.72424e+06    3.49205e+05   -1.37504e+06    1.87018e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09211e+02   -2.18848e+02    8.19664e+01    3.74181e-06

           Step           Time
      193185000   386370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24276e+03    2.36375e+04    1.63512e+04    1.40471e+03   -4.33531e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25069e+03    1.45816e+05    2.74792e+05   -1.78645e+04   -2.19183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21396e+04   -1.72439e+06    3.50594e+05   -1.37380e+06    1.87022e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10441e+02   -2.19360e+02    8.54723e+01    3.57270e-06

           Step           Time
      193190000   386380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53791e+03    2.35824e+04    1.62505e+04    1.53984e+03   -4.28252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06615e+03    1.45426e+05    2.74942e+05   -1.78205e+04   -2.19159e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21032e+04   -1.72425e+06    3.50935e+05   -1.37331e+06    1.87029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10744e+02   -2.18281e+02   -2.41803e+01    3.45163e-06

           Step           Time
      193195000   386390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55415e+03    2.34012e+04    1.62048e+04    1.33844e+03   -4.33263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14730e+03    1.45309e+05    2.73038e+05   -1.78102e+04   -2.19010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19296e+04   -1.72532e+06    3.49533e+05   -1.37578e+06    1.87039e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09501e+02   -2.18031e+02   -9.04781e+01    3.63918e-06

           Step           Time
      193200000   386400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19702e+03    2.37913e+04    1.62538e+04    1.37640e+03   -4.24019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15674e+03    1.45306e+05    2.74819e+05   -1.77860e+04   -2.19455e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23000e+04   -1.72738e+06    3.48957e+05   -1.37842e+06    1.87054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08992e+02   -2.17438e+02   -4.02763e+01    3.43246e-06

           Step           Time
      193205000   386410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42389e+03    2.32608e+04    1.65398e+04    1.45147e+03   -4.37279e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18109e+03    1.45537e+05    2.73747e+05   -1.78103e+04   -2.19085e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22602e+04   -1.72463e+06    3.48880e+05   -1.37575e+06    1.87060e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08924e+02   -2.18033e+02   -4.24440e+01    3.62225e-06

           Step           Time
      193210000   386420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53593e+03    2.41708e+04    1.60949e+04    1.37999e+03   -4.27788e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99625e+03    1.45094e+05    2.74843e+05   -1.77845e+04   -2.19094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23612e+04   -1.72352e+06    3.48654e+05   -1.37487e+06    1.87068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08724e+02   -2.17401e+02   -5.22101e+01    3.68081e-06

           Step           Time
      193215000   386430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50041e+03    2.34438e+04    1.62651e+04    1.42087e+03   -4.29209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22132e+03    1.45819e+05    2.73450e+05   -1.77775e+04   -2.19118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22508e+04   -1.72488e+06    3.49126e+05   -1.37575e+06    1.87077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09141e+02   -2.17231e+02   -1.06631e+02    3.40232e-06

           Step           Time
      193220000   386440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37322e+03    2.38259e+04    1.63608e+04    1.37493e+03   -4.31707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02028e+03    1.45321e+05    2.75449e+05   -1.78227e+04   -2.19090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23125e+04   -1.72300e+06    3.49561e+05   -1.37344e+06    1.87083e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09527e+02   -2.18335e+02    6.04515e+01    3.57625e-06

           Step           Time
      193225000   386450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35496e+03    2.38335e+04    1.62639e+04    1.38895e+03   -4.16780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10340e+03    1.44928e+05    2.74436e+05   -1.78376e+04   -2.19049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22805e+04   -1.72390e+06    3.51214e+05   -1.37269e+06    1.87087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10991e+02   -2.18701e+02    3.46979e+01    3.57569e-06

           Step           Time
      193230000   386460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53096e+03    2.38511e+04    1.63829e+04    1.46283e+03   -4.31052e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09847e+03    1.45429e+05    2.74281e+05   -1.78223e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23188e+04   -1.72407e+06    3.50223e+05   -1.37384e+06    1.87102e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10112e+02   -2.18327e+02   -3.43095e+01    3.51857e-06

           Step           Time
      193235000   386470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42319e+03    2.34846e+04    1.63839e+04    1.32480e+03   -4.22759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03087e+03    1.45064e+05    2.73984e+05   -1.78064e+04   -2.19146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22513e+04   -1.72555e+06    3.51716e+05   -1.37384e+06    1.87107e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11435e+02   -2.17936e+02   -7.28043e+01    3.68170e-06

           Step           Time
      193240000   386480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52746e+03    2.39356e+04    1.61852e+04    1.37447e+03   -4.21204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02718e+03    1.45415e+05    2.74456e+05   -1.78571e+04   -2.19263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20657e+04   -1.72571e+06    3.51719e+05   -1.37399e+06    1.87116e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11438e+02   -2.19178e+02    4.48777e+01    3.70103e-06

           Step           Time
      193245000   386490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30234e+03    2.32525e+04    1.62722e+04    1.32071e+03   -4.18768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02761e+03    1.45595e+05    2.74762e+05   -1.78206e+04   -2.19330e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21033e+04   -1.72667e+06    3.48513e+05   -1.37815e+06    1.87123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08599e+02   -2.18285e+02    2.23641e+01    3.43538e-06

           Step           Time
      193250000   386500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51543e+03    2.37119e+04    1.64446e+04    1.41662e+03   -4.31366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06405e+03    1.45169e+05    2.74561e+05   -1.78296e+04   -2.18968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23388e+04   -1.72260e+06    3.50382e+05   -1.37222e+06    1.87132e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10254e+02   -2.18505e+02    6.57887e+01    3.68841e-06

           Step           Time
      193255000   386510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33796e+03    2.37284e+04    1.64524e+04    1.36232e+03   -4.26743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16342e+03    1.45541e+05    2.75569e+05   -1.78732e+04   -2.19246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22908e+04   -1.72416e+06    3.49493e+05   -1.37467e+06    1.87146e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09466e+02   -2.19572e+02    7.99046e+01    3.54837e-06

           Step           Time
      193260000   386520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31014e+03    2.38191e+04    1.61449e+04    1.33728e+03   -4.17849e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09114e+03    1.44819e+05    2.74740e+05   -1.78239e+04   -2.19306e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21889e+04   -1.72661e+06    3.50186e+05   -1.37643e+06    1.87145e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10080e+02   -2.18366e+02   -3.08937e+01    3.61008e-06

           Step           Time
      193265000   386530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57529e+03    2.33069e+04    1.63855e+04    1.48080e+03   -4.26588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15925e+03    1.45355e+05    2.75676e+05   -1.78449e+04   -2.19494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19965e+04   -1.72711e+06    3.50496e+05   -1.37662e+06    1.87154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10354e+02   -2.18880e+02    5.90376e+01    3.56107e-06

           Step           Time
      193270000   386540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58064e+03    2.35417e+04    1.63377e+04    1.36886e+03   -4.23011e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16501e+03    1.44839e+05    2.74950e+05   -1.78257e+04   -2.19128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21448e+04   -1.72441e+06    3.49737e+05   -1.37467e+06    1.87164e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09683e+02   -2.18410e+02    2.93310e+01    3.45889e-06

           Step           Time
      193275000   386550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43955e+03    2.36161e+04    1.62416e+04    1.33354e+03   -4.20741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19083e+03    1.45347e+05    2.75181e+05   -1.78565e+04   -2.19291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21766e+04   -1.72545e+06    3.49769e+05   -1.37568e+06    1.87173e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.19164e+02    4.87243e+01    3.60134e-06

           Step           Time
      193280000   386560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25481e+03    2.38815e+04    1.61473e+04    1.38260e+03   -4.32834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13873e+03    1.45013e+05    2.73494e+05   -1.78354e+04   -2.19053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21631e+04   -1.72522e+06    3.50108e+05   -1.37511e+06    1.87178e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10011e+02   -2.18647e+02    1.86510e+01    3.43707e-06

           Step           Time
      193285000   386570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27146e+03    2.37686e+04    1.64630e+04    1.44837e+03   -4.22751e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08594e+03    1.44786e+05    2.74528e+05   -1.78055e+04   -2.19149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24018e+04   -1.72477e+06    3.51336e+05   -1.37344e+06    1.87186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11098e+02   -2.17914e+02   -9.60994e+00    3.37806e-06

           Step           Time
      193290000   386580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19099e+03    2.36148e+04    1.64335e+04    1.45218e+03   -4.27972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09080e+03    1.45466e+05    2.73617e+05   -1.78014e+04   -2.19053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22896e+04   -1.72446e+06    3.50235e+05   -1.37422e+06    1.87192e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10124e+02   -2.17815e+02   -2.44577e+01    3.55832e-06

           Step           Time
      193295000   386590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39741e+03    2.39053e+04    1.61089e+04    1.35804e+03   -4.31638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14279e+03    1.45272e+05    2.74416e+05   -1.78123e+04   -2.19177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23122e+04   -1.72499e+06    3.50306e+05   -1.37468e+06    1.87204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10186e+02   -2.18080e+02   -4.11301e+01    3.69369e-06

           Step           Time
      193300000   386600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26088e+03    2.40024e+04    1.64647e+04    1.31191e+03   -4.32175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07987e+03    1.44986e+05    2.73369e+05   -1.78240e+04   -2.19099e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21849e+04   -1.72547e+06    3.49119e+05   -1.37635e+06    1.87214e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09135e+02   -2.18368e+02   -4.45222e+01    3.50749e-06

           Step           Time
      193305000   386610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23024e+03    2.34221e+04    1.64271e+04    1.45440e+03   -4.19582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26564e+03    1.45097e+05    2.74392e+05   -1.78185e+04   -2.19127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21975e+04   -1.72480e+06    3.50760e+05   -1.37404e+06    1.87219e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.18232e+02    7.14166e+01    3.68261e-06

           Step           Time
      193310000   386620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27692e+03    2.34579e+04    1.63542e+04    1.38088e+03   -4.30356e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06850e+03    1.45568e+05    2.75740e+05   -1.78292e+04   -2.19303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24637e+04   -1.72485e+06    3.51268e+05   -1.37358e+06    1.87227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11038e+02   -2.18495e+02    7.00327e+01    3.64667e-06

           Step           Time
      193315000   386630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09184e+03    2.39535e+04    1.62163e+04    1.38073e+03   -4.14351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13312e+03    1.45145e+05    2.72812e+05   -1.78478e+04   -2.19040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20308e+04   -1.72563e+06    3.50331e+05   -1.37530e+06    1.87237e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.18951e+02   -1.03203e+01    3.55140e-06

           Step           Time
      193320000   386640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21137e+03    2.40218e+04    1.63975e+04    1.30045e+03   -4.22925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02519e+03    1.45161e+05    2.73576e+05   -1.78176e+04   -2.19019e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22452e+04   -1.72430e+06    3.48821e+05   -1.37548e+06    1.87250e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08872e+02   -2.18210e+02   -9.13544e+01    3.56943e-06

           Step           Time
      193325000   386650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42207e+03    2.38800e+04    1.63457e+04    1.47700e+03   -4.25691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12621e+03    1.44966e+05    2.76625e+05   -1.78219e+04   -2.19471e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22322e+04   -1.72571e+06    3.49599e+05   -1.37612e+06    1.87260e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09560e+02   -2.18315e+02    5.82866e+01    3.54174e-06

           Step           Time
      193330000   386660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38426e+03    2.36499e+04    1.62611e+04    1.42371e+03   -4.21030e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14275e+03    1.44840e+05    2.75225e+05   -1.78225e+04   -2.19075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22797e+04   -1.72358e+06    3.50828e+05   -1.37275e+06    1.87262e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10648e+02   -2.18330e+02    6.81392e+01    3.73248e-06

           Step           Time
      193335000   386670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26733e+03    2.37802e+04    1.61710e+04    1.42785e+03   -4.28391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25465e+03    1.45199e+05    2.73921e+05   -1.78353e+04   -2.18981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22160e+04   -1.72369e+06    3.51007e+05   -1.37269e+06    1.87269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10807e+02   -2.18645e+02    9.76991e+01    3.69306e-06

           Step           Time
      193340000   386680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57724e+03    2.37302e+04    1.61244e+04    1.37401e+03   -4.23174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08667e+03    1.44685e+05    2.75844e+05   -1.78344e+04   -2.19325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20092e+04   -1.72589e+06    3.48621e+05   -1.37727e+06    1.87280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08694e+02   -2.18621e+02   -5.59727e+00    3.51385e-06

           Step           Time
      193345000   386690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50015e+03    2.36412e+04    1.63994e+04    1.42715e+03   -4.23599e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15304e+03    1.45392e+05    2.73618e+05   -1.78062e+04   -2.19131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19699e+04   -1.72526e+06    3.51042e+05   -1.37421e+06    1.87285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10837e+02   -2.17931e+02    2.73615e+01    3.62724e-06

Writing checkpoint, step 193348200 at Tue Jun 11 09:54:11 2024


           Step           Time
      193350000   386700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67759e+03    2.39481e+04    1.61760e+04    1.39972e+03   -4.28050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02810e+03    1.45178e+05    2.73564e+05   -1.78273e+04   -2.18892e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22847e+04   -1.72278e+06    3.50105e+05   -1.37267e+06    1.87293e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10008e+02   -2.18448e+02   -2.96475e+01    3.71879e-06

           Step           Time
      193355000   386710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50479e+03    2.39884e+04    1.60197e+04    1.35647e+03   -4.25907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11929e+03    1.45376e+05    2.73587e+05   -1.78640e+04   -2.19303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21255e+04   -1.72708e+06    3.50752e+05   -1.37633e+06    1.87299e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.19347e+02   -3.09506e+01    3.54459e-06

           Step           Time
      193360000   386720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29563e+03    2.38399e+04    1.61379e+04    1.39141e+03   -4.27043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14974e+03    1.44871e+05    2.75469e+05   -1.78236e+04   -2.19389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22402e+04   -1.72659e+06    3.49817e+05   -1.37677e+06    1.87306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09753e+02   -2.18357e+02    4.61938e+01    3.62755e-06

           Step           Time
      193365000   386730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39555e+03    2.36599e+04    1.64261e+04    1.43417e+03   -4.22323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09710e+03    1.44525e+05    2.76764e+05   -1.78482e+04   -2.19253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22842e+04   -1.72401e+06    3.50234e+05   -1.37378e+06    1.87315e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10122e+02   -2.18961e+02    5.92192e+01    3.66493e-06

           Step           Time
      193370000   386740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20650e+03    2.37074e+04    1.64920e+04    1.48762e+03   -4.20702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18095e+03    1.44864e+05    2.75255e+05   -1.78521e+04   -2.19498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22166e+04   -1.72763e+06    3.51238e+05   -1.37639e+06    1.87323e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11011e+02   -2.19057e+02    6.36808e+01    3.69384e-06

           Step           Time
      193375000   386750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42991e+03    2.36945e+04    1.63752e+04    1.44277e+03   -4.18367e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14509e+03    1.45141e+05    2.72859e+05   -1.78020e+04   -2.18928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23666e+04   -1.72381e+06    3.50571e+05   -1.37324e+06    1.87333e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10421e+02   -2.17828e+02   -6.99771e+01    3.56593e-06

           Step           Time
      193380000   386760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39781e+03    2.36608e+04    1.64566e+04    1.44094e+03   -4.19026e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27620e+03    1.45334e+05    2.75958e+05   -1.78577e+04   -2.19450e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22682e+04   -1.72576e+06    3.48934e+05   -1.37682e+06    1.87343e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08972e+02   -2.19194e+02    1.25802e+02    3.51306e-06

           Step           Time
      193385000   386770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31680e+03    2.36886e+04    1.63557e+04    1.32999e+03   -4.30289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11581e+03    1.45222e+05    2.73018e+05   -1.78139e+04   -2.19002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20287e+04   -1.72506e+06    3.51713e+05   -1.37334e+06    1.87342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11432e+02   -2.18119e+02   -5.98504e+01    3.70683e-06

           Step           Time
      193390000   386780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28413e+03    2.36877e+04    1.61847e+04    1.40670e+03   -4.22414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24420e+03    1.45678e+05    2.75049e+05   -1.78377e+04   -2.19249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23368e+04   -1.72468e+06    3.49730e+05   -1.37495e+06    1.87357e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09676e+02   -2.18704e+02    1.09824e+02    3.56988e-06

           Step           Time
      193395000   386790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14493e+03    2.36570e+04    1.64164e+04    1.47469e+03   -4.24902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25641e+03    1.45853e+05    2.74670e+05   -1.78196e+04   -2.19064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25276e+04   -1.72271e+06    3.50290e+05   -1.37242e+06    1.87363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10172e+02   -2.18259e+02    1.21609e+02    3.61300e-06

           Step           Time
      193400000   386800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45506e+03    2.36065e+04    1.63161e+04    1.45570e+03   -4.33563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19347e+03    1.45835e+05    2.74233e+05   -1.77857e+04   -2.19137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22243e+04   -1.72417e+06    3.50679e+05   -1.37349e+06    1.87369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.17430e+02   -1.75728e+01    3.61077e-06

           Step           Time
      193405000   386810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51508e+03    2.32694e+04    1.62704e+04    1.40859e+03   -4.25203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00041e+03    1.45192e+05    2.72527e+05   -1.77802e+04   -2.19070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20208e+04   -1.72652e+06    3.49221e+05   -1.37730e+06    1.87371e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09225e+02   -2.17297e+02   -1.26009e+02    3.65707e-06

           Step           Time
      193410000   386820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17981e+03    2.36884e+04    1.62770e+04    1.37845e+03   -4.26803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24177e+03    1.45805e+05    2.74107e+05   -1.78015e+04   -2.18953e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22926e+04   -1.72263e+06    3.49952e+05   -1.37268e+06    1.87384e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09873e+02   -2.17818e+02    3.37219e+01    3.61742e-06

           Step           Time
      193415000   386830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55043e+03    2.36312e+04    1.63113e+04    1.44907e+03   -4.32551e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99797e+03    1.45691e+05    2.74446e+05   -1.78439e+04   -2.19287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22700e+04   -1.72569e+06    3.51227e+05   -1.37446e+06    1.87392e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11002e+02   -2.18854e+02    4.22627e+01    3.64209e-06

           Step           Time
      193420000   386840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30796e+03    2.33680e+04    1.63505e+04    1.37349e+03   -4.16389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20828e+03    1.45534e+05    2.75397e+05   -1.78102e+04   -2.19322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21710e+04   -1.72549e+06    3.50024e+05   -1.37546e+06    1.87397e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09936e+02   -2.18030e+02    1.74411e+01    3.56792e-06

           Step           Time
      193425000   386850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63785e+03    2.37206e+04    1.64906e+04    1.40107e+03   -4.25800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20165e+03    1.45466e+05    2.73392e+05   -1.78062e+04   -2.18930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22153e+04   -1.72284e+06    3.49022e+05   -1.37382e+06    1.87408e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09049e+02   -2.17932e+02   -7.80198e+00    3.59630e-06

           Step           Time
      193430000   386860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26355e+03    2.34610e+04    1.61912e+04    1.49012e+03   -4.23472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14096e+03    1.45675e+05    2.77284e+05   -1.78333e+04   -2.19595e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20179e+04   -1.72649e+06    3.48741e+05   -1.37775e+06    1.87416e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08801e+02   -2.18596e+02    1.09387e+02    3.61345e-06

           Step           Time
      193435000   386870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51801e+03    2.37114e+04    1.61883e+04    1.33653e+03   -4.18637e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27987e+03    1.45134e+05    2.74936e+05   -1.78026e+04   -2.19075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20942e+04   -1.72354e+06    3.49927e+05   -1.37362e+06    1.87421e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09851e+02   -2.17843e+02    1.02366e+02    3.59025e-06

           Step           Time
      193440000   386880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35223e+03    2.33232e+04    1.63210e+04    1.39866e+03   -4.06119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13159e+03    1.45571e+05    2.74336e+05   -1.77963e+04   -2.19232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20776e+04   -1.72566e+06    3.50541e+05   -1.37512e+06    1.87426e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10394e+02   -2.17691e+02    2.13290e+01    3.60135e-06

           Step           Time
      193445000   386890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32153e+03    2.36388e+04    1.63139e+04    1.35755e+03   -4.36344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19745e+03    1.45233e+05    2.74278e+05   -1.78136e+04   -2.18947e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24492e+04   -1.72285e+06    3.50214e+05   -1.37264e+06    1.87437e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10104e+02   -2.18112e+02    1.17826e+02    3.67451e-06

           Step           Time
      193450000   386900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31275e+03    2.34478e+04    1.64460e+04    1.34746e+03   -4.26659e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96180e+03    1.45394e+05    2.73749e+05   -1.78160e+04   -2.19186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21789e+04   -1.72611e+06    3.49246e+05   -1.37686e+06    1.87443e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09247e+02   -2.18172e+02   -3.53500e+00    3.70468e-06

           Step           Time
      193455000   386910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26089e+03    2.37702e+04    1.62287e+04    1.44041e+03   -4.09527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10336e+03    1.45336e+05    2.72845e+05   -1.78789e+04   -2.19197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21287e+04   -1.72683e+06    3.51167e+05   -1.37566e+06    1.87453e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10949e+02   -2.19714e+02   -8.04989e+00    3.47933e-06

           Step           Time
      193460000   386920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37500e+03    2.32227e+04    1.63686e+04    1.39651e+03   -4.24988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14468e+03    1.45536e+05    2.71249e+05   -1.78227e+04   -2.18793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21876e+04   -1.72452e+06    3.49283e+05   -1.37524e+06    1.87458e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09280e+02   -2.18337e+02   -1.50051e+02    3.57216e-06

           Step           Time
      193465000   386930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28907e+03    2.33320e+04    1.62773e+04    1.30335e+03   -4.20661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18773e+03    1.45645e+05    2.74019e+05   -1.78000e+04   -2.19246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21823e+04   -1.72623e+06    3.49482e+05   -1.37675e+06    1.87468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09456e+02   -2.17781e+02    2.36273e+01    3.55776e-06

           Step           Time
      193470000   386940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.70685e+03    2.34450e+04    1.62555e+04    1.37214e+03   -4.18102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14655e+03    1.45341e+05    2.72127e+05   -1.78409e+04   -2.18670e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21389e+04   -1.72218e+06    3.51425e+05   -1.37076e+06    1.87475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11177e+02   -2.18781e+02   -5.63600e+01    3.72536e-06

           Step           Time
      193475000   386950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27856e+03    2.36568e+04    1.62486e+04    1.37395e+03   -4.18146e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23056e+03    1.45214e+05    2.74334e+05   -1.78283e+04   -2.18923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21760e+04   -1.72272e+06    3.49462e+05   -1.37326e+06    1.87486e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09439e+02   -2.18473e+02    4.44071e+01    3.57736e-06

           Step           Time
      193480000   386960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17815e+03    2.31593e+04    1.64037e+04    1.40917e+03   -4.21467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25509e+03    1.45603e+05    2.75283e+05   -1.78255e+04   -2.19331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23928e+04   -1.72566e+06    3.49456e+05   -1.37621e+06    1.87495e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09434e+02   -2.18404e+02    3.68188e+00    3.54692e-06

           Step           Time
      193485000   386970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44962e+03    2.37645e+04    1.64243e+04    1.43621e+03   -4.21509e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11520e+03    1.45377e+05    2.73177e+05   -1.78574e+04   -2.19260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21226e+04   -1.72680e+06    3.50286e+05   -1.37652e+06    1.87499e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10169e+02   -2.19185e+02   -7.02074e+01    3.45550e-06

           Step           Time
      193490000   386980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30283e+03    2.35337e+04    1.65402e+04    1.37248e+03   -4.31230e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22461e+03    1.45657e+05    2.76191e+05   -1.78360e+04   -2.19535e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21302e+04   -1.72655e+06    3.50538e+05   -1.37601e+06    1.87503e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10391e+02   -2.18662e+02    1.62037e+02    3.39998e-06

           Step           Time
      193495000   386990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26849e+03    2.32130e+04    1.62963e+04    1.40157e+03   -4.26108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98774e+03    1.45523e+05    2.74517e+05   -1.77848e+04   -2.19305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21830e+04   -1.72671e+06    3.49301e+05   -1.37741e+06    1.87504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09296e+02   -2.17409e+02   -1.00240e+02    3.62818e-06

           Step           Time
      193500000   387000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19423e+03    2.40221e+04    1.63613e+04    1.47270e+03   -4.28902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15759e+03    1.45014e+05    2.73439e+05   -1.77850e+04   -2.18763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21685e+04   -1.72187e+06    3.50199e+05   -1.37168e+06    1.87516e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.17414e+02    3.64694e+01    3.57231e-06

           Step           Time
      193505000   387010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60349e+03    2.36801e+04    1.63363e+04    1.46274e+03   -4.25385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06300e+03    1.45336e+05    2.75078e+05   -1.78134e+04   -2.19009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22912e+04   -1.72231e+06    3.52979e+05   -1.36933e+06    1.87523e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12553e+02   -2.18108e+02    6.38928e+01    3.67044e-06

           Step           Time
      193510000   387020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18749e+03    2.33681e+04    1.61833e+04    1.38502e+03   -4.16436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10591e+03    1.46057e+05    2.71990e+05   -1.78716e+04   -2.19094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22613e+04   -1.72644e+06    3.51112e+05   -1.37533e+06    1.87533e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10900e+02   -2.19534e+02   -8.52843e+01    3.52525e-06

           Step           Time
      193515000   387030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38851e+03    2.40435e+04    1.63836e+04    1.36239e+03   -4.27655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12426e+03    1.45055e+05    2.72613e+05   -1.78590e+04   -2.18809e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22247e+04   -1.72303e+06    3.51653e+05   -1.37138e+06    1.87544e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11379e+02   -2.19224e+02    4.54400e+01    3.56542e-06

           Step           Time
      193520000   387040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28342e+03    2.37342e+04    1.61955e+04    1.31692e+03   -4.15299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04414e+03    1.45435e+05    2.72592e+05   -1.78310e+04   -2.19029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20899e+04   -1.72558e+06    3.50621e+05   -1.37496e+06    1.87546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10465e+02   -2.18539e+02   -8.86789e+01    3.45800e-06

           Step           Time
      193525000   387050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12118e+03    2.37474e+04    1.62015e+04    1.42850e+03   -4.39292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13249e+03    1.45333e+05    2.74720e+05   -1.78193e+04   -2.19043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22170e+04   -1.72374e+06    3.50510e+05   -1.37323e+06    1.87557e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10367e+02   -2.18253e+02    6.16243e+01    3.48555e-06

           Step           Time
      193530000   387060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31129e+03    2.39836e+04    1.64306e+04    1.25168e+03   -4.22268e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25012e+03    1.45053e+05    2.72684e+05   -1.78487e+04   -2.18677e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24479e+04   -1.72143e+06    3.50756e+05   -1.37068e+06    1.87569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10585e+02   -2.18972e+02    9.38065e+01    3.58342e-06

           Step           Time
      193535000   387070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44116e+03    2.35902e+04    1.62296e+04    1.32266e+03   -4.30376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21360e+03    1.45315e+05    2.73799e+05   -1.78025e+04   -2.18943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22231e+04   -1.72341e+06    3.51689e+05   -1.37172e+06    1.87570e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11411e+02   -2.17841e+02    4.70154e+01    3.61707e-06

           Step           Time
      193540000   387080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32937e+03    2.35029e+04    1.61704e+04    1.41887e+03   -4.23314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13865e+03    1.45669e+05    2.75576e+05   -1.78313e+04   -2.19537e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24028e+04   -1.72723e+06    3.50575e+05   -1.37665e+06    1.87581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10424e+02   -2.18545e+02    3.56653e+01    3.63610e-06

           Step           Time
      193545000   387090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41628e+03    2.37634e+04    1.61614e+04    1.45842e+03   -4.26642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21479e+03    1.45739e+05    2.73052e+05   -1.78063e+04   -2.19007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22032e+04   -1.72413e+06    3.49649e+05   -1.37448e+06    1.87589e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09605e+02   -2.17934e+02   -2.82484e+01    3.57777e-06

           Step           Time
      193550000   387100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12407e+03    2.36437e+04    1.62792e+04    1.35967e+03   -4.27293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21499e+03    1.45549e+05    2.73608e+05   -1.78563e+04   -2.19213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22065e+04   -1.72628e+06    3.49491e+05   -1.37678e+06    1.87595e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09465e+02   -2.19160e+02    9.15705e+00    3.59278e-06

           Step           Time
      193555000   387110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37200e+03    2.37873e+04    1.63775e+04    1.38374e+03   -4.20235e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19942e+03    1.45169e+05    2.71538e+05   -1.77922e+04   -2.18629e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23558e+04   -1.72210e+06    3.49399e+05   -1.37271e+06    1.87604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09383e+02   -2.17590e+02   -9.00621e+01    3.59727e-06

           Step           Time
      193560000   387120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36060e+03    2.32330e+04    1.62099e+04    1.33533e+03   -4.23644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28945e+03    1.45662e+05    2.74433e+05   -1.78614e+04   -2.19490e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20334e+04   -1.72844e+06    3.49788e+05   -1.37865e+06    1.87613e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09727e+02   -2.19284e+02   -1.98064e+01    3.48594e-06

           Step           Time
      193565000   387130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42741e+03    2.34341e+04    1.64446e+04    1.41581e+03   -4.25819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14712e+03    1.45239e+05    2.76347e+05   -1.78861e+04   -2.19610e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19509e+04   -1.72784e+06    3.49280e+05   -1.37856e+06    1.87618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09277e+02   -2.19889e+02    9.46146e+01    3.47883e-06

           Step           Time
      193570000   387140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22109e+03    2.35021e+04    1.62201e+04    1.40670e+03   -4.26816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24206e+03    1.45062e+05    2.74653e+05   -1.78233e+04   -2.19240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23544e+04   -1.72583e+06    3.50622e+05   -1.37521e+06    1.87623e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10466e+02   -2.18350e+02    7.95622e+00    3.55911e-06

           Step           Time
      193575000   387150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34546e+03    2.36192e+04    1.60594e+04    1.40632e+03   -4.15223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06732e+03    1.45058e+05    2.77069e+05   -1.78548e+04   -2.19574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22260e+04   -1.72690e+06    3.48321e+05   -1.37858e+06    1.87636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08429e+02   -2.19122e+02    6.55679e+01    3.49289e-06

           Step           Time
      193580000   387160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31456e+03    2.35466e+04    1.65052e+04    1.36748e+03   -4.22036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19088e+03    1.45421e+05    2.74364e+05   -1.78327e+04   -2.19059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22716e+04   -1.72366e+06    3.48684e+05   -1.37498e+06    1.87644e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08750e+02   -2.18580e+02    3.06712e+01    3.55852e-06

           Step           Time
      193585000   387170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19009e+03    2.39155e+04    1.61044e+04    1.41818e+03   -4.33513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23025e+03    1.45469e+05    2.73343e+05   -1.78367e+04   -2.18875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22231e+04   -1.72303e+06    3.50146e+05   -1.37288e+06    1.87655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10044e+02   -2.18679e+02    7.69198e+01    3.50335e-06

           Step           Time
      193590000   387180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34208e+03    2.35178e+04    1.62819e+04    1.40494e+03   -4.19191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07589e+03    1.45503e+05    2.76609e+05   -1.78304e+04   -2.19600e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23769e+04   -1.72691e+06    3.51252e+05   -1.37565e+06    1.87657e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11024e+02   -2.18524e+02    8.88809e+01    3.62342e-06

           Step           Time
      193595000   387190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39905e+03    2.39737e+04    1.63136e+04    1.36424e+03   -4.24113e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11304e+03    1.45342e+05    2.74947e+05   -1.78206e+04   -2.19219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21875e+04   -1.72461e+06    3.53862e+05   -1.37075e+06    1.87666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.13335e+02   -2.18283e+02    1.97060e+01    3.57131e-06

           Step           Time
      193600000   387200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44991e+03    2.39291e+04    1.63820e+04    1.40501e+03   -4.28480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10595e+03    1.44917e+05    2.75492e+05   -1.78612e+04   -2.19348e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23627e+04   -1.72559e+06    3.49638e+05   -1.37595e+06    1.87676e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09595e+02   -2.19279e+02    2.43348e+01    3.44290e-06

           Step           Time
      193605000   387210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37051e+03    2.39034e+04    1.62686e+04    1.42067e+03   -4.22978e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02971e+03    1.44957e+05    2.74275e+05   -1.77987e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23271e+04   -1.72292e+06    3.50365e+05   -1.37256e+06    1.87679e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.17748e+02   -4.75331e+01    3.54897e-06

           Step           Time
      193610000   387220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15280e+03    2.38040e+04    1.62050e+04    1.37152e+03   -4.23595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12029e+03    1.45640e+05    2.73418e+05   -1.78290e+04   -2.19302e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21342e+04   -1.72724e+06    3.50874e+05   -1.37636e+06    1.87688e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.18491e+02    5.69020e+00    3.70971e-06

           Step           Time
      193615000   387230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54307e+03    2.35054e+04    1.63685e+04    1.33738e+03   -4.15899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05119e+03    1.45504e+05    2.73480e+05   -1.78503e+04   -2.19149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21989e+04   -1.72551e+06    3.51641e+05   -1.37387e+06    1.87694e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11368e+02   -2.19011e+02   -4.84545e+01    3.56471e-06

           Step           Time
      193620000   387240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36361e+03    2.41774e+04    1.63052e+04    1.31586e+03   -4.21880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19036e+03    1.44831e+05    2.72143e+05   -1.78508e+04   -2.18879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22772e+04   -1.72425e+06    3.49514e+05   -1.37474e+06    1.87703e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09485e+02   -2.19025e+02   -3.98392e+01    3.59987e-06

           Step           Time
      193625000   387250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18596e+03    2.33927e+04    1.62599e+04    1.36478e+03   -4.23558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26616e+03    1.45633e+05    2.74660e+05   -1.78503e+04   -2.19262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24863e+04   -1.72545e+06    3.49791e+05   -1.37566e+06    1.87711e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09730e+02   -2.19012e+02    7.24555e+01    3.47511e-06

           Step           Time
      193630000   387260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56032e+03    2.39488e+04    1.61529e+04    1.43364e+03   -4.26941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95232e+03    1.44984e+05    2.75106e+05   -1.78624e+04   -2.19272e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20663e+04   -1.72565e+06    3.49602e+05   -1.37605e+06    1.87722e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09562e+02   -2.19307e+02    2.49238e+01    3.43026e-06

           Step           Time
      193635000   387270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62748e+03    2.36823e+04    1.61246e+04    1.41501e+03   -4.16007e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09714e+03    1.45224e+05    2.74106e+05   -1.77719e+04   -2.19106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22146e+04   -1.72450e+06    3.50517e+05   -1.37398e+06    1.87725e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.17095e+02   -8.75465e+01    3.68507e-06

           Step           Time
      193640000   387280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51434e+03    2.36679e+04    1.65358e+04    1.36774e+03   -4.20961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14227e+03    1.45789e+05    2.75115e+05   -1.78352e+04   -2.19338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25326e+04   -1.72476e+06    3.52695e+05   -1.37206e+06    1.87735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12302e+02   -2.18643e+02    5.41188e+01    3.52587e-06

           Step           Time
      193645000   387290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52241e+03    2.39517e+04    1.64387e+04    1.40754e+03   -4.07782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09452e+03    1.45351e+05    2.74746e+05   -1.78386e+04   -2.19311e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22407e+04   -1.72527e+06    3.51981e+05   -1.37329e+06    1.87742e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11669e+02   -2.18725e+02    7.09899e+00    3.43678e-06

           Step           Time
      193650000   387300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39310e+03    2.35288e+04    1.62946e+04    1.37487e+03   -4.13149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11178e+03    1.45248e+05    2.73868e+05   -1.78113e+04   -2.18968e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21719e+04   -1.72363e+06    3.50942e+05   -1.37269e+06    1.87750e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10750e+02   -2.18057e+02   -2.75834e+01    3.63870e-06

           Step           Time
      193655000   387310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32787e+03    2.37493e+04    1.62973e+04    1.41446e+03   -4.12762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27289e+03    1.45341e+05    2.74191e+05   -1.78293e+04   -2.19022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21763e+04   -1.72341e+06    3.49459e+05   -1.37395e+06    1.87757e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09436e+02   -2.18498e+02    8.08796e+01    3.62409e-06

           Step           Time
      193660000   387320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23476e+03    2.36154e+04    1.62032e+04    1.37131e+03   -4.28399e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18562e+03    1.45299e+05    2.76217e+05   -1.78448e+04   -2.19422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20762e+04   -1.72614e+06    3.48868e+05   -1.37728e+06    1.87764e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08912e+02   -2.18877e+02    6.48526e+01    3.40632e-06

           Step           Time
      193665000   387330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49554e+03    2.38609e+04    1.63330e+04    1.45492e+03   -4.23444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12873e+03    1.44667e+05    2.74306e+05   -1.78570e+04   -2.19022e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22678e+04   -1.72380e+06    3.49999e+05   -1.37380e+06    1.87775e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09914e+02   -2.19175e+02    4.97656e+01    3.34915e-06

           Step           Time
      193670000   387340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40037e+03    2.34906e+04    1.63759e+04    1.40882e+03   -4.12705e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25652e+03    1.45223e+05    2.72397e+05   -1.78294e+04   -2.18995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22919e+04   -1.72506e+06    3.49438e+05   -1.37562e+06    1.87779e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09418e+02   -2.18500e+02   -3.28801e+01    3.49200e-06

           Step           Time
      193675000   387350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50251e+03    2.37632e+04    1.63185e+04    1.38360e+03   -4.29378e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03726e+03    1.45422e+05    2.73597e+05   -1.78531e+04   -2.18866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21887e+04   -1.72259e+06    3.51253e+05   -1.37134e+06    1.87787e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.19079e+02    7.30309e+01    3.62563e-06

           Step           Time
      193680000   387360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41630e+03    2.37532e+04    1.62501e+04    1.42541e+03   -4.29833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12780e+03    1.45525e+05    2.75057e+05   -1.78507e+04   -2.19405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20872e+04   -1.72656e+06    3.49485e+05   -1.37707e+06    1.87794e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09459e+02   -2.19020e+02    4.80299e+01    3.43106e-06

           Step           Time
      193685000   387370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52134e+03    2.35848e+04    1.63454e+04    1.43810e+03   -4.18597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14877e+03    1.44688e+05    2.74631e+05   -1.78431e+04   -2.19264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22316e+04   -1.72608e+06    3.50179e+05   -1.37590e+06    1.87797e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10074e+02   -2.18836e+02    2.39536e+01    3.48735e-06

           Step           Time
      193690000   387380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52507e+03    2.35724e+04    1.63625e+04    1.43348e+03   -4.30638e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.33210e+03    1.44937e+05    2.74085e+05   -1.78102e+04   -2.19076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22446e+04   -1.72439e+06    3.50643e+05   -1.37374e+06    1.87808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10485e+02   -2.18029e+02    8.26465e+00    3.39855e-06

           Step           Time
      193695000   387390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42588e+03    2.34806e+04    1.63692e+04    1.31267e+03   -4.35248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01458e+03    1.45347e+05    2.74479e+05   -1.78381e+04   -2.19388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21507e+04   -1.72749e+06    3.48868e+05   -1.37862e+06    1.87815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08913e+02   -2.18713e+02   -5.35250e+01    3.41235e-06

           Step           Time
      193700000   387400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.70702e+03    2.36810e+04    1.62231e+04    1.43250e+03   -4.34735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03803e+03    1.45085e+05    2.71533e+05   -1.78377e+04   -2.19025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22238e+04   -1.72651e+06    3.49268e+05   -1.37724e+06    1.87822e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09267e+02   -2.18703e+02   -1.66930e+02    3.52186e-06

           Step           Time
      193705000   387410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18155e+03    2.33952e+04    1.62918e+04    1.37338e+03   -4.34260e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20605e+03    1.45512e+05    2.75350e+05   -1.78317e+04   -2.19382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22928e+04   -1.72640e+06    3.49997e+05   -1.37640e+06    1.87830e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09913e+02   -2.18556e+02    8.60569e+01    3.45327e-06

           Step           Time
      193710000   387420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69297e+03    2.33100e+04    1.63678e+04    1.35000e+03   -4.23398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26123e+03    1.45194e+05    2.72616e+05   -1.77643e+04   -2.18647e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22982e+04   -1.72138e+06    3.51349e+05   -1.37003e+06    1.87838e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.16910e+02    2.99145e+01    3.57286e-06

           Step           Time
      193715000   387430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45338e+03    2.38315e+04    1.62042e+04    1.37007e+03   -4.26282e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07544e+03    1.44332e+05    2.79441e+05   -1.78911e+04   -2.19822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21330e+04   -1.72754e+06    3.52526e+05   -1.37501e+06    1.87849e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12152e+02   -2.20013e+02    2.24521e+02    3.53493e-06

           Step           Time
      193720000   387440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69867e+03    2.40302e+04    1.63395e+04    1.36497e+03   -4.40093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01500e+03    1.44924e+05    2.72660e+05   -1.78064e+04   -2.18890e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23995e+04   -1.72368e+06    3.51399e+05   -1.37228e+06    1.87857e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11154e+02   -2.17937e+02   -1.27120e+02    3.61106e-06

           Step           Time
      193725000   387450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35621e+03    2.36043e+04    1.63851e+04    1.39349e+03   -4.27586e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22077e+03    1.45314e+05    2.75247e+05   -1.78542e+04   -2.19513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22784e+04   -1.72746e+06    3.50640e+05   -1.37682e+06    1.87866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10482e+02   -2.19108e+02    2.51906e+01    3.34213e-06

           Step           Time
      193730000   387460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27651e+03    2.39146e+04    1.62461e+04    1.40421e+03   -4.30229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10148e+03    1.45085e+05    2.75659e+05   -1.78087e+04   -2.19364e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22236e+04   -1.72584e+06    3.49826e+05   -1.37601e+06    1.87876e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09761e+02   -2.17992e+02    4.87299e+01    3.40595e-06

           Step           Time
      193735000   387470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39670e+03    2.36883e+04    1.64666e+04    1.40696e+03   -4.36857e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08742e+03    1.45145e+05    2.73525e+05   -1.78528e+04   -2.19034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22492e+04   -1.72459e+06    3.49587e+05   -1.37501e+06    1.87882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09549e+02   -2.19072e+02    1.32518e+01    3.55815e-06

           Step           Time
      193740000   387480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19636e+03    2.36487e+04    1.63612e+04    1.31857e+03   -4.33972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25259e+03    1.44919e+05    2.71402e+05   -1.77652e+04   -2.18717e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23054e+04   -1.72387e+06    3.48541e+05   -1.37533e+06    1.87888e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08624e+02   -2.16931e+02   -1.28165e+02    3.52602e-06

           Step           Time
      193745000   387490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51879e+03    2.34046e+04    1.65182e+04    1.41653e+03   -4.19325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14102e+03    1.45265e+05    2.75915e+05   -1.77928e+04   -2.19110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22161e+04   -1.72270e+06    3.51416e+05   -1.37128e+06    1.87895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.17605e+02    4.13123e+01    3.54487e-06

           Step           Time
      193750000   387500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26737e+03    2.36170e+04    1.64138e+04    1.38399e+03   -4.27185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22845e+03    1.45424e+05    2.75650e+05   -1.78268e+04   -2.19465e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23023e+04   -1.72646e+06    3.49531e+05   -1.37693e+06    1.87910e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09500e+02   -2.18437e+02    7.84908e+01    3.54676e-06

           Step           Time
      193755000   387510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49193e+03    2.37986e+04    1.63708e+04    1.38960e+03   -4.24609e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11763e+03    1.44741e+05    2.74680e+05   -1.78288e+04   -2.19228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23374e+04   -1.72543e+06    3.49730e+05   -1.37570e+06    1.87916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09676e+02   -2.18485e+02    3.32359e+00    3.60634e-06

           Step           Time
      193760000   387520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53325e+03    2.40790e+04    1.62721e+04    1.51098e+03   -4.34130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04920e+03    1.44508e+05    2.73483e+05   -1.78163e+04   -2.18872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21809e+04   -1.72326e+06    3.50666e+05   -1.37260e+06    1.87927e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.18178e+02    6.79108e+00    3.50897e-06

           Step           Time
      193765000   387530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47104e+03    2.37730e+04    1.62072e+04    1.36332e+03   -4.18768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07615e+03    1.45205e+05    2.75027e+05   -1.78682e+04   -2.19423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21463e+04   -1.72702e+06    3.49664e+05   -1.37736e+06    1.87939e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09617e+02   -2.19449e+02    1.82905e+01    3.52386e-06

           Step           Time
      193770000   387540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57653e+03    2.35873e+04    1.65390e+04    1.36216e+03   -4.37516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11546e+03    1.44591e+05    2.74551e+05   -1.78458e+04   -2.19160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25075e+04   -1.72500e+06    3.51137e+05   -1.37386e+06    1.87939e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10922e+02   -2.18902e+02    3.73576e+01    3.69883e-06

           Step           Time
      193775000   387550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.97683e+03    2.35679e+04    1.63797e+04    1.41534e+03   -4.31152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21505e+03    1.45144e+05    2.72499e+05   -1.78052e+04   -2.19045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22196e+04   -1.72615e+06    3.49247e+05   -1.37691e+06    1.87951e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09248e+02   -2.17907e+02   -6.40757e+01    3.50422e-06

           Step           Time
      193780000   387560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33406e+03    2.34243e+04    1.64129e+04    1.49970e+03   -4.16029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17507e+03    1.45515e+05    2.74006e+05   -1.78115e+04   -2.19145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21318e+04   -1.72492e+06    3.51290e+05   -1.37363e+06    1.87955e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11058e+02   -2.18062e+02   -3.99201e+01    3.41666e-06

           Step           Time
      193785000   387570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61927e+03    2.34604e+04    1.63288e+04    1.39543e+03   -4.15291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21903e+03    1.45241e+05    2.73380e+05   -1.78167e+04   -2.18793e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23063e+04   -1.72195e+06    3.49636e+05   -1.37232e+06    1.87970e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09593e+02   -2.18189e+02    2.12728e+01    3.49284e-06

           Step           Time
      193790000   387580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35020e+03    2.32634e+04    1.64638e+04    1.30373e+03   -4.34710e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08601e+03    1.45005e+05    2.72909e+05   -1.78550e+04   -2.19109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21709e+04   -1.72674e+06    3.49144e+05   -1.37760e+06    1.87972e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09157e+02   -2.19128e+02   -4.76536e+01    3.50857e-06

           Step           Time
      193795000   387590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45313e+03    2.36718e+04    1.62188e+04    1.38589e+03   -4.21622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01002e+03    1.44845e+05    2.74266e+05   -1.77950e+04   -2.19141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23777e+04   -1.72519e+06    3.50146e+05   -1.37505e+06    1.87983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10044e+02   -2.17659e+02   -3.65449e+01    3.56634e-06

           Step           Time
      193800000   387600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58662e+03    2.36973e+04    1.62210e+04    1.40741e+03   -4.31569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12098e+03    1.44718e+05    2.75336e+05   -1.78142e+04   -2.19252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21895e+04   -1.72537e+06    3.49023e+05   -1.37635e+06    1.87996e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09050e+02   -2.18127e+02   -1.41204e+01    3.36729e-06

           Step           Time
      193805000   387610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44964e+03    2.39739e+04    1.63543e+04    1.38700e+03   -4.31093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13107e+03    1.44691e+05    2.74298e+05   -1.78282e+04   -2.18910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22930e+04   -1.72266e+06    3.50597e+05   -1.37206e+06    1.88004e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10444e+02   -2.18471e+02    6.31397e+01    3.36668e-06

           Step           Time
      193810000   387620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40390e+03    2.39996e+04    1.64568e+04    1.38460e+03   -4.19521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15883e+03    1.44984e+05    2.76198e+05   -1.78378e+04   -2.19368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21364e+04   -1.72499e+06    3.51894e+05   -1.37310e+06    1.88013e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11592e+02   -2.18704e+02    1.37374e+02    3.38496e-06

           Step           Time
      193815000   387630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09376e+03    2.38407e+04    1.63354e+04    1.33703e+03   -4.26744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11364e+03    1.45351e+05    2.72800e+05   -1.78657e+04   -2.19021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20404e+04   -1.72544e+06    3.51046e+05   -1.37439e+06    1.88016e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10842e+02   -2.19390e+02   -2.28864e+01    3.45515e-06

           Step           Time
      193820000   387640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19311e+03    2.36393e+04    1.62841e+04    1.17359e+03   -4.13744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21327e+03    1.45003e+05    2.74315e+05   -1.78797e+04   -2.19268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21508e+04   -1.72673e+06    3.49536e+05   -1.37719e+06    1.88024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09505e+02   -2.19732e+02    4.96107e+01    3.39322e-06

           Step           Time
      193825000   387650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37787e+03    2.35551e+04    1.63858e+04    1.46800e+03   -4.23642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23762e+03    1.45302e+05    2.74807e+05   -1.78186e+04   -2.19039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22514e+04   -1.72306e+06    3.50453e+05   -1.37261e+06    1.88036e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10316e+02   -2.18237e+02    2.29286e+01    3.40498e-06

           Step           Time
      193830000   387660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45045e+03    2.39045e+04    1.63554e+04    1.32304e+03   -4.28508e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09322e+03    1.45097e+05    2.74322e+05   -1.78215e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21942e+04   -1.72465e+06    3.51100e+05   -1.37355e+06    1.88043e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.18307e+02    3.32727e+01    3.57226e-06

           Step           Time
      193835000   387670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56382e+03    2.35540e+04    1.63493e+04    1.38403e+03   -4.24461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06426e+03    1.45364e+05    2.74290e+05   -1.78582e+04   -2.19169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20410e+04   -1.72518e+06    3.50255e+05   -1.37492e+06    1.88050e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10141e+02   -2.19206e+02   -5.10061e+01    3.46881e-06

           Step           Time
      193840000   387680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41179e+03    2.42302e+04    1.64053e+04    1.44574e+03   -4.33664e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07419e+03    1.44412e+05    2.72999e+05   -1.78014e+04   -2.18904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23176e+04   -1.72388e+06    3.51993e+05   -1.37188e+06    1.88055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11680e+02   -2.17816e+02   -9.67582e+00    3.48317e-06

           Step           Time
      193845000   387690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.66685e+03    2.37850e+04    1.63475e+04    1.46175e+03   -4.44381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09399e+03    1.44527e+05    2.73691e+05   -1.78182e+04   -2.18977e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21664e+04   -1.72430e+06    3.51663e+05   -1.37263e+06    1.88065e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11388e+02   -2.18225e+02   -1.20659e+02    3.52006e-06

           Step           Time
      193850000   387700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40812e+03    2.38813e+04    1.65501e+04    1.42159e+03   -4.32722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09277e+03    1.44900e+05    2.73856e+05   -1.78085e+04   -2.19021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23415e+04   -1.72389e+06    3.48947e+05   -1.37495e+06    1.88070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08983e+02   -2.17988e+02    2.95204e+01    3.56192e-06

           Step           Time
      193855000   387710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40329e+03    2.32358e+04    1.63520e+04    1.46248e+03   -4.37477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24154e+03    1.45864e+05    2.75165e+05   -1.78021e+04   -2.19250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23769e+04   -1.72457e+06    3.48916e+05   -1.37566e+06    1.88087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08956e+02   -2.17832e+02    2.28458e+01    3.47122e-06

           Step           Time
      193860000   387720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18566e+03    2.37741e+04    1.65425e+04    1.40063e+03   -4.40036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03478e+03    1.44431e+05    2.74859e+05   -1.78269e+04   -2.19204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23737e+04   -1.72567e+06    3.50828e+05   -1.37484e+06    1.88086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10649e+02   -2.18438e+02   -2.91499e+01    3.47455e-06

           Step           Time
      193865000   387730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16092e+03    2.33239e+04    1.63384e+04    1.37775e+03   -4.48780e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27515e+03    1.44976e+05    2.75840e+05   -1.78498e+04   -2.19488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22488e+04   -1.72768e+06    3.49552e+05   -1.37813e+06    1.88100e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09518e+02   -2.18999e+02    1.40595e+02    3.55977e-06

           Step           Time
      193870000   387740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36643e+03    2.35969e+04    1.62538e+04    1.33489e+03   -4.32319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12735e+03    1.45323e+05    2.75829e+05   -1.78556e+04   -2.19513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21394e+04   -1.72734e+06    3.49633e+05   -1.37770e+06    1.88110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09591e+02   -2.19143e+02    5.96935e+01    3.44926e-06

           Step           Time
      193875000   387750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51651e+03    2.35750e+04    1.64020e+04    1.42831e+03   -4.39394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.85373e+03    1.45294e+05    2.74376e+05   -1.78205e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22363e+04   -1.72448e+06    3.50430e+05   -1.37406e+06    1.88116e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10296e+02   -2.18282e+02   -6.75185e+01    3.50484e-06

           Step           Time
      193880000   387760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22607e+03    2.38702e+04    1.63085e+04    1.38089e+03   -4.28733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15938e+03    1.45241e+05    2.74144e+05   -1.78418e+04   -2.19045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23948e+04   -1.72385e+06    3.49167e+05   -1.37468e+06    1.88127e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09177e+02   -2.18803e+02    3.91922e+01    3.45931e-06

           Step           Time
      193885000   387770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17069e+03    2.36560e+04    1.63940e+04    1.37839e+03   -4.23405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05058e+03    1.44982e+05    2.76150e+05   -1.77781e+04   -2.19432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22623e+04   -1.72629e+06    3.49118e+05   -1.37717e+06    1.88130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09134e+02   -2.17246e+02   -3.86853e+00    3.40410e-06

           Step           Time
      193890000   387780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39890e+03    2.38888e+04    1.63928e+04    1.33191e+03   -4.45488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05666e+03    1.45244e+05    2.72217e+05   -1.78168e+04   -2.18822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23545e+04   -1.72361e+06    3.50868e+05   -1.37274e+06    1.88142e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.18191e+02   -7.68078e+01    3.52730e-06

           Step           Time
      193895000   387790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38925e+03    2.37859e+04    1.64161e+04    1.40328e+03   -4.46739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18449e+03    1.45840e+05    2.72741e+05   -1.78565e+04   -2.19154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19062e+04   -1.72619e+06    3.50368e+05   -1.37583e+06    1.88149e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.19164e+02    2.04286e+01    3.43028e-06

           Step           Time
      193900000   387800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19655e+03    2.36436e+04    1.63523e+04    1.36198e+03   -4.23073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99981e+03    1.45448e+05    2.74516e+05   -1.77982e+04   -2.19255e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22128e+04   -1.72585e+06    3.50442e+05   -1.37540e+06    1.88154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10307e+02   -2.17737e+02   -3.94584e+01    3.47826e-06

           Step           Time
      193905000   387810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45717e+03    2.38244e+04    1.64621e+04    1.37204e+03   -4.39406e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11835e+03    1.45417e+05    2.72645e+05   -1.78065e+04   -2.18893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21400e+04   -1.72369e+06    3.49088e+05   -1.37461e+06    1.88162e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09108e+02   -2.17939e+02   -4.15366e+01    3.40825e-06

           Step           Time
      193910000   387820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43680e+03    2.34053e+04    1.64848e+04    1.41070e+03   -4.38034e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24961e+03    1.45091e+05    2.74361e+05   -1.78038e+04   -2.19015e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22810e+04   -1.72361e+06    3.50074e+05   -1.37354e+06    1.88168e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09981e+02   -2.17873e+02    3.21414e+01    3.46921e-06

           Step           Time
      193915000   387830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59732e+03    2.37387e+04    1.64135e+04    1.47652e+03   -4.31161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06700e+03    1.44964e+05    2.73889e+05   -1.78060e+04   -2.19125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21718e+04   -1.72505e+06    3.49564e+05   -1.37548e+06    1.88178e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09529e+02   -2.17928e+02   -2.28067e+01    3.50661e-06

           Step           Time
      193920000   387840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38543e+03    2.33695e+04    1.63506e+04    1.37680e+03   -4.25200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17543e+03    1.45079e+05    2.74424e+05   -1.78626e+04   -2.19334e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21215e+04   -1.72717e+06    3.49640e+05   -1.37753e+06    1.88183e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09597e+02   -2.19312e+02    1.00012e+01    3.41671e-06

           Step           Time
      193925000   387850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24443e+03    2.37434e+04    1.66205e+04    1.40216e+03   -4.21096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19727e+03    1.45132e+05    2.76305e+05   -1.78365e+04   -2.19414e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21277e+04   -1.72542e+06    3.51038e+05   -1.37438e+06    1.88197e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10835e+02   -2.18674e+02    6.56830e+01    3.39390e-06

           Step           Time
      193930000   387860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20260e+03    2.35451e+04    1.61514e+04    1.42019e+03   -4.20963e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04193e+03    1.45328e+05    2.73678e+05   -1.77970e+04   -2.19117e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22712e+04   -1.72554e+06    3.49829e+05   -1.37571e+06    1.88194e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09764e+02   -2.17707e+02   -3.53441e+00    3.49897e-06

           Step           Time
      193935000   387870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48455e+03    2.37612e+04    1.64985e+04    1.39008e+03   -4.38119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16983e+03    1.44866e+05    2.74940e+05   -1.78095e+04   -2.19054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21175e+04   -1.72351e+06    3.51149e+05   -1.37236e+06    1.88202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.18013e+02    5.11608e+01    3.51625e-06

           Step           Time
      193940000   387880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.76941e+03    2.37002e+04    1.64727e+04    1.37250e+03   -4.15891e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.97247e+03    1.44813e+05    2.74793e+05   -1.78400e+04   -2.19115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22395e+04   -1.72402e+06    3.50646e+05   -1.37337e+06    1.88213e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10487e+02   -2.18760e+02   -3.76736e-01    3.52592e-06

           Step           Time
      193945000   387890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34315e+03    2.34921e+04    1.63080e+04    1.49663e+03   -4.17414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20915e+03    1.45692e+05    2.74264e+05   -1.78195e+04   -2.19091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21509e+04   -1.72394e+06    3.51571e+05   -1.37237e+06    1.88217e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11306e+02   -2.18258e+02    3.69855e+00    3.47019e-06

           Step           Time
      193950000   387900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34600e+03    2.36754e+04    1.63065e+04    1.33313e+03   -4.34614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19794e+03    1.44882e+05    2.71882e+05   -1.77732e+04   -2.18847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20936e+04   -1.72488e+06    3.47451e+05   -1.37743e+06    1.88231e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07659e+02   -2.17125e+02   -1.61464e+02    3.41066e-06

           Step           Time
      193955000   387910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16445e+03    2.33577e+04    1.65515e+04    1.44616e+03   -4.43517e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.33912e+03    1.45639e+05    2.74985e+05   -1.78633e+04   -2.19320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22702e+04   -1.72575e+06    3.50648e+05   -1.37510e+06    1.88235e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10489e+02   -2.19332e+02    1.06362e+02    3.57482e-06

           Step           Time
      193960000   387920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39990e+03    2.33497e+04    1.63355e+04    1.35501e+03   -4.40326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98986e+03    1.44820e+05    2.75359e+05   -1.78441e+04   -2.19473e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21605e+04   -1.72821e+06    3.50629e+05   -1.37758e+06    1.88241e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10472e+02   -2.18859e+02   -3.99419e+01    3.34929e-06

           Step           Time
      193965000   387930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29686e+03    2.36789e+04    1.63216e+04    1.27766e+03   -4.33951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08009e+03    1.44931e+05    2.71904e+05   -1.78492e+04   -2.18966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21047e+04   -1.72625e+06    3.48841e+05   -1.37741e+06    1.88248e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08889e+02   -2.18984e+02   -1.45397e+02    3.36975e-06

           Step           Time
      193970000   387940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44954e+03    2.35529e+04    1.62086e+04    1.33473e+03   -4.36975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17141e+03    1.45829e+05    2.73940e+05   -1.78117e+04   -2.19116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20501e+04   -1.72481e+06    3.49005e+05   -1.37580e+06    1.88264e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09034e+02   -2.18066e+02   -1.74340e+01    3.51246e-06

           Step           Time
      193975000   387950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.95499e+03    2.38516e+04    1.63580e+04    1.44658e+03   -4.33480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25433e+03    1.45314e+05    2.75872e+05   -1.78490e+04   -2.19504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23113e+04   -1.72686e+06    3.49562e+05   -1.37730e+06    1.88269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09527e+02   -2.18981e+02    1.46737e+02    3.33662e-06

           Step           Time
      193980000   387960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41379e+03    2.37205e+04    1.65063e+04    1.41037e+03   -4.30276e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14554e+03    1.45708e+05    2.72600e+05   -1.78258e+04   -2.18755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22301e+04   -1.72195e+06    3.49265e+05   -1.37268e+06    1.88279e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09264e+02   -2.18410e+02   -6.14367e+00    3.45279e-06

           Step           Time
      193985000   387970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51044e+03    2.33057e+04    1.63850e+04    1.44090e+03   -4.38886e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03582e+03    1.45407e+05    2.72682e+05   -1.78398e+04   -2.19173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21472e+04   -1.72705e+06    3.50568e+05   -1.37648e+06    1.88288e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10418e+02   -2.18754e+02   -1.02548e+02    3.45977e-06

           Step           Time
      193990000   387980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40237e+03    2.38871e+04    1.61088e+04    1.43029e+03   -4.18992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19886e+03    1.45266e+05    2.72470e+05   -1.77990e+04   -2.18936e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22526e+04   -1.72433e+06    3.51727e+05   -1.37260e+06    1.88292e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11445e+02   -2.17757e+02   -1.15682e+02    3.39977e-06

           Step           Time
      193995000   387990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56302e+03    2.36615e+04    1.63786e+04    1.47342e+03   -4.26774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10021e+03    1.45458e+05    2.74746e+05   -1.78251e+04   -2.19153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23035e+04   -1.72394e+06    3.49620e+05   -1.37432e+06    1.88305e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09579e+02   -2.18394e+02    1.20586e-01    3.44751e-06

           Step           Time
      194000000   388000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22134e+03    2.39110e+04    1.64601e+04    1.37376e+03   -4.29099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13757e+03    1.45797e+05    2.76658e+05   -1.78060e+04   -2.19284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21030e+04   -1.72327e+06    3.49828e+05   -1.37344e+06    1.88310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09763e+02   -2.17928e+02    1.67335e+02    3.30101e-06

           Step           Time
      194005000   388010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29959e+03    2.38486e+04    1.64143e+04    1.37200e+03   -4.34328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18962e+03    1.45585e+05    2.72392e+05   -1.78409e+04   -2.18907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22475e+04   -1.72391e+06    3.49893e+05   -1.37401e+06    1.88314e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09821e+02   -2.18782e+02    3.74116e+01    3.36604e-06

           Step           Time
      194010000   388020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36557e+03    2.31853e+04    1.65354e+04    1.38316e+03   -4.41151e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18367e+03    1.45747e+05    2.73107e+05   -1.78407e+04   -2.19169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21255e+04   -1.72631e+06    3.49765e+05   -1.37655e+06    1.88324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09707e+02   -2.18777e+02   -6.72892e+01    3.30143e-06

           Step           Time
      194015000   388030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18730e+03    2.37556e+04    1.61928e+04    1.36816e+03   -4.14948e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15293e+03    1.45308e+05    2.75142e+05   -1.78034e+04   -2.19227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24502e+04   -1.72467e+06    3.51130e+05   -1.37354e+06    1.88329e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10915e+02   -2.17864e+02    2.43191e+01    3.57531e-06

           Step           Time
      194020000   388040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47783e+03    2.42147e+04    1.63849e+04    1.47649e+03   -4.26987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15525e+03    1.45569e+05    2.73879e+05   -1.78152e+04   -2.19026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20883e+04   -1.72310e+06    3.52520e+05   -1.37058e+06    1.88336e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12147e+02   -2.18152e+02    2.52587e+01    3.56463e-06

           Step           Time
      194025000   388050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28817e+03    2.35006e+04    1.63101e+04    1.39326e+03   -4.37035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10552e+03    1.45259e+05    2.73511e+05   -1.78455e+04   -2.19227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21013e+04   -1.72702e+06    3.49895e+05   -1.37712e+06    1.88338e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09822e+02   -2.18895e+02   -6.28580e+01    3.45601e-06

           Step           Time
      194030000   388060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67585e+03    2.35020e+04    1.63019e+04    1.37464e+03   -4.27949e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17283e+03    1.45784e+05    2.74187e+05   -1.78445e+04   -2.19130e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23068e+04   -1.72412e+06    3.49785e+05   -1.37434e+06    1.88351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09725e+02   -2.18868e+02    4.92932e+01    3.66767e-06

           Step           Time
      194035000   388070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.11199e+03    2.36822e+04    1.63414e+04    1.49564e+03   -4.33501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12653e+03    1.45228e+05    2.74577e+05   -1.77791e+04   -2.19323e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22247e+04   -1.72656e+06    3.47826e+05   -1.37873e+06    1.88363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07990e+02   -2.17271e+02   -4.97857e+01    3.48185e-06

Writing checkpoint, step 194035100 at Tue Jun 11 10:09:11 2024


           Step           Time
      194040000   388080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.02792e+03    2.36133e+04    1.64352e+04    1.36472e+03   -4.30926e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27722e+03    1.45474e+05    2.73835e+05   -1.78714e+04   -2.19333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22082e+04   -1.72728e+06    3.49529e+05   -1.37775e+06    1.88366e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09498e+02   -2.19529e+02    6.88122e+01    3.37403e-06

           Step           Time
      194045000   388090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59764e+03    2.39621e+04    1.65028e+04    1.35027e+03   -4.24475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13608e+03    1.45435e+05    2.74908e+05   -1.78310e+04   -2.19115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21620e+04   -1.72317e+06    3.50812e+05   -1.37236e+06    1.88381e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10634e+02   -2.18539e+02    5.89081e+01    3.45574e-06

           Step           Time
      194050000   388100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51417e+03    2.34657e+04    1.62154e+04    1.30661e+03   -4.27826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21738e+03    1.45160e+05    2.73347e+05   -1.77726e+04   -2.18858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23527e+04   -1.72306e+06    3.51580e+05   -1.37148e+06    1.88384e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11314e+02   -2.17111e+02   -5.41788e+01    3.53764e-06

           Step           Time
      194055000   388110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25202e+03    2.40265e+04    1.63652e+04    1.33392e+03   -4.37273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23881e+03    1.45219e+05    2.76083e+05   -1.78526e+04   -2.19336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22279e+04   -1.72484e+06    3.50704e+05   -1.37414e+06    1.88400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10539e+02   -2.19067e+02    1.89591e+02    3.43822e-06

           Step           Time
      194060000   388120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69491e+03    2.34101e+04    1.63010e+04    1.43302e+03   -4.27902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20476e+03    1.44886e+05    2.75010e+05   -1.78310e+04   -2.19175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22551e+04   -1.72466e+06    3.49913e+05   -1.37475e+06    1.88401e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09838e+02   -2.18539e+02    3.97176e+01    3.37080e-06

           Step           Time
      194065000   388130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37210e+03    2.35406e+04    1.65173e+04    1.34710e+03   -4.25914e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04798e+03    1.44676e+05    2.71933e+05   -1.78321e+04   -2.18961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22928e+04   -1.72597e+06    3.49823e+05   -1.37615e+06    1.88412e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09759e+02   -2.18566e+02   -1.20729e+02    3.50000e-06

           Step           Time
      194070000   388140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54470e+03    2.35546e+04    1.64969e+04    1.39936e+03   -4.45153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13328e+03    1.45213e+05    2.74702e+05   -1.78207e+04   -2.19122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23624e+04   -1.72408e+06    3.49848e+05   -1.37423e+06    1.88422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09781e+02   -2.18287e+02    2.90420e+01    3.44828e-06

           Step           Time
      194075000   388150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36105e+03    2.37660e+04    1.61998e+04    1.35530e+03   -4.16323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09454e+03    1.45093e+05    2.74572e+05   -1.78328e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22369e+04   -1.72426e+06    3.49400e+05   -1.37486e+06    1.88428e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09384e+02   -2.18584e+02    5.30164e+01    3.38727e-06

           Step           Time
      194080000   388160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26784e+03    2.32320e+04    1.62830e+04    1.36186e+03   -4.31388e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23731e+03    1.45206e+05    2.73765e+05   -1.78267e+04   -2.19294e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23501e+04   -1.72737e+06    3.51190e+05   -1.37618e+06    1.88432e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10969e+02   -2.18433e+02    3.76144e+01    3.52360e-06

           Step           Time
      194085000   388170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40003e+03    2.36160e+04    1.64500e+04    1.46866e+03   -4.39979e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19998e+03    1.44810e+05    2.74716e+05   -1.78410e+04   -2.19212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23234e+04   -1.72538e+06    3.49967e+05   -1.37541e+06    1.88446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09886e+02   -2.18783e+02    8.85057e+01    3.39835e-06

           Step           Time
      194090000   388180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51358e+03    2.38640e+04    1.63240e+04    1.41134e+03   -4.36171e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01043e+03    1.44784e+05    2.70712e+05   -1.78099e+04   -2.18761e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22186e+04   -1.72494e+06    3.50806e+05   -1.37413e+06    1.88447e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10629e+02   -2.18024e+02   -1.57777e+02    3.65406e-06

           Step           Time
      194095000   388190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41750e+03    2.33956e+04    1.62916e+04    1.40792e+03   -4.36321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31027e+03    1.45188e+05    2.72382e+05   -1.78197e+04   -2.18751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24151e+04   -1.72289e+06    3.51140e+05   -1.37175e+06    1.88457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10925e+02   -2.18262e+02   -2.27138e+01    3.59785e-06

           Step           Time
      194100000   388200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23718e+03    2.41265e+04    1.63094e+04    1.40712e+03   -4.31345e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22296e+03    1.44666e+05    2.75063e+05   -1.78218e+04   -2.19049e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22028e+04   -1.72339e+06    3.51303e+05   -1.37208e+06    1.88468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11069e+02   -2.18313e+02    6.03975e+01    3.47310e-06

           Step           Time
      194105000   388210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27801e+03    2.39666e+04    1.63528e+04    1.33057e+03   -4.42152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16252e+03    1.45660e+05    2.74002e+05   -1.77756e+04   -2.19160e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21946e+04   -1.72485e+06    3.49720e+05   -1.37513e+06    1.88480e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09668e+02   -2.17184e+02   -4.20594e+01    3.38516e-06

           Step           Time
      194110000   388220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38689e+03    2.34482e+04    1.61252e+04    1.37482e+03   -4.27684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14831e+03    1.45545e+05    2.73418e+05   -1.78482e+04   -2.19369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23878e+04   -1.72798e+06    3.49027e+05   -1.37895e+06    1.88490e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09053e+02   -2.18961e+02   -6.04285e+01    3.39396e-06

           Step           Time
      194115000   388230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22733e+03    2.35408e+04    1.61941e+04    1.42197e+03   -4.33661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15035e+03    1.45290e+05    2.76629e+05   -1.78547e+04   -2.19556e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20782e+04   -1.72722e+06    3.48990e+05   -1.37823e+06    1.88494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09021e+02   -2.19119e+02    1.17281e+02    3.29417e-06

           Step           Time
      194120000   388240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33039e+03    2.34721e+04    1.64782e+04    1.38398e+03   -4.33568e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11620e+03    1.45384e+05    2.74932e+05   -1.78246e+04   -2.19347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21332e+04   -1.72640e+06    3.48808e+05   -1.37759e+06    1.88502e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08860e+02   -2.18383e+02    2.82595e+00    3.37405e-06

           Step           Time
      194125000   388250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19470e+03    2.33510e+04    1.63423e+04    1.43295e+03   -4.18172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18435e+03    1.45138e+05    2.73686e+05   -1.78792e+04   -2.19053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22200e+04   -1.72505e+06    3.49063e+05   -1.37598e+06    1.88511e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09085e+02   -2.19721e+02   -5.70748e+00    3.31388e-06

           Step           Time
      194130000   388260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37176e+03    2.36180e+04    1.65585e+04    1.42954e+03   -4.38196e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14381e+03    1.45193e+05    2.75660e+05   -1.77934e+04   -2.19516e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21876e+04   -1.72717e+06    3.48334e+05   -1.37883e+06    1.88522e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08440e+02   -2.17618e+02    7.39981e+00    3.55874e-06

           Step           Time
      194135000   388270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49481e+03    2.38050e+04    1.64895e+04    1.31563e+03   -4.37274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19992e+03    1.45038e+05    2.73346e+05   -1.78616e+04   -2.18888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19797e+04   -1.72345e+06    3.49668e+05   -1.37378e+06    1.88531e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09621e+02   -2.19288e+02    2.54373e+01    3.40640e-06

           Step           Time
      194140000   388280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.83360e+03    2.39517e+04    1.61466e+04    1.32073e+03   -4.29702e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05024e+03    1.45045e+05    2.73800e+05   -1.78059e+04   -2.18874e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24128e+04   -1.72228e+06    3.50315e+05   -1.37197e+06    1.88537e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.17926e+02   -9.25541e+01    3.38964e-06

           Step           Time
      194145000   388290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49550e+03    2.35052e+04    1.61978e+04    1.39142e+03   -4.24787e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18956e+03    1.44990e+05    2.76770e+05   -1.78285e+04   -2.19574e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22434e+04   -1.72704e+06    3.50161e+05   -1.37688e+06    1.88549e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10058e+02   -2.18478e+02    1.28785e+02    3.45062e-06

           Step           Time
      194150000   388300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56247e+03    2.31608e+04    1.62456e+04    1.28886e+03   -4.34077e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09912e+03    1.44678e+05    2.74472e+05   -1.78144e+04   -2.19145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20976e+04   -1.72600e+06    3.48324e+05   -1.37768e+06    1.88551e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08431e+02   -2.18132e+02   -2.22325e+01    3.45739e-06

           Step           Time
      194155000   388310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41054e+03    2.34044e+04    1.62608e+04    1.34433e+03   -4.34578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03217e+03    1.45547e+05    2.73230e+05   -1.78306e+04   -2.19043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22128e+04   -1.72517e+06    3.49670e+05   -1.37550e+06    1.88563e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09623e+02   -2.18528e+02    1.07057e+00    3.39457e-06

           Step           Time
      194160000   388320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51465e+03    2.40709e+04    1.62583e+04    1.41660e+03   -4.38405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14467e+03    1.44754e+05    2.75255e+05   -1.78515e+04   -2.19234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20843e+04   -1.72507e+06    3.51054e+05   -1.37402e+06    1.88573e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10849e+02   -2.19040e+02    5.54643e+01    3.38400e-06

           Step           Time
      194165000   388330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26146e+03    2.34440e+04    1.62918e+04    1.42249e+03   -4.06407e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09747e+03    1.45290e+05    2.74333e+05   -1.78124e+04   -2.18943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21261e+04   -1.72304e+06    3.48105e+05   -1.37493e+06    1.88581e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08238e+02   -2.18084e+02    7.54959e+01    3.58920e-06

           Step           Time
      194170000   388340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21042e+03    2.35958e+04    1.63047e+04    1.33131e+03   -4.35970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09695e+03    1.45087e+05    2.76619e+05   -1.78249e+04   -2.19372e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22520e+04   -1.72540e+06    3.49349e+05   -1.37606e+06    1.88585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09339e+02   -2.18389e+02    6.46414e+01    3.53903e-06

           Step           Time
      194175000   388350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18358e+03    2.38252e+04    1.65008e+04    1.38101e+03   -4.33931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04313e+03    1.44982e+05    2.73352e+05   -1.77851e+04   -2.18940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25333e+04   -1.72372e+06    3.52425e+05   -1.37130e+06    1.88588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12063e+02   -2.17417e+02   -1.55811e+01    3.63305e-06

           Step           Time
      194180000   388360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51475e+03    2.41669e+04    1.63261e+04    1.39014e+03   -4.26133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06035e+03    1.44683e+05    2.72874e+05   -1.77950e+04   -2.18860e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22737e+04   -1.72337e+06    3.51791e+05   -1.37158e+06    1.88599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11501e+02   -2.17659e+02   -8.45779e+01    3.43964e-06

           Step           Time
      194185000   388370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33023e+03    2.38870e+04    1.64605e+04    1.41949e+03   -4.31796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13815e+03    1.44401e+05    2.74096e+05   -1.78387e+04   -2.19061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22057e+04   -1.72483e+06    3.51188e+05   -1.37364e+06    1.88607e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.18728e+02    2.10430e+00    3.55919e-06

           Step           Time
      194190000   388380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48749e+03    2.31151e+04    1.63565e+04    1.40636e+03   -4.30117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06599e+03    1.44988e+05    2.72735e+05   -1.77848e+04   -2.19002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21639e+04   -1.72579e+06    3.50289e+05   -1.37550e+06    1.88613e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10171e+02   -2.17408e+02   -1.03841e+02    3.52328e-06

           Step           Time
      194195000   388390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19015e+03    2.35006e+04    1.63062e+04    1.30325e+03   -4.33302e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15051e+03    1.45040e+05    2.75145e+05   -1.78173e+04   -2.19293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22264e+04   -1.72622e+06    3.50176e+05   -1.37604e+06    1.88624e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10071e+02   -2.18203e+02    1.26301e+01    3.57824e-06

           Step           Time
      194200000   388400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53861e+03    2.37434e+04    1.62969e+04    1.46623e+03   -4.19125e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09251e+03    1.44772e+05    2.75631e+05   -1.78116e+04   -2.19020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23389e+04   -1.72232e+06    3.50533e+05   -1.37179e+06    1.88630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10387e+02   -2.18063e+02    4.09080e+01    3.34997e-06

           Step           Time
      194205000   388410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51741e+03    2.39402e+04    1.64754e+04    1.42914e+03   -4.27573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17238e+03    1.44932e+05    2.75243e+05   -1.78561e+04   -2.19251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21121e+04   -1.72482e+06    3.48766e+05   -1.37605e+06    1.88639e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08823e+02   -2.19153e+02    7.96473e+01    3.36278e-06

           Step           Time
      194210000   388420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51507e+03    2.39038e+04    1.61763e+04    1.44342e+03   -4.33450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05604e+03    1.45240e+05    2.74921e+05   -1.77971e+04   -2.19190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23027e+04   -1.72447e+06    3.50198e+05   -1.37427e+06    1.88649e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.17709e+02   -1.49530e+00    3.50754e-06

           Step           Time
      194215000   388430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42076e+03    2.36517e+04    1.62306e+04    1.30881e+03   -4.16998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10888e+03    1.45306e+05    2.74894e+05   -1.78277e+04   -2.19245e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22350e+04   -1.72529e+06    3.50313e+05   -1.37498e+06    1.88654e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.18458e+02   -5.07503e+00    3.52307e-06

           Step           Time
      194220000   388440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41180e+03    2.37655e+04    1.65304e+04    1.44795e+03   -4.43497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16378e+03    1.45187e+05    2.77461e+05   -1.77970e+04   -2.19639e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22259e+04   -1.72642e+06    3.51976e+05   -1.37445e+06    1.88662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11665e+02   -2.17706e+02    1.15448e+02    3.42998e-06

           Step           Time
      194225000   388450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51023e+03    2.40896e+04    1.61732e+04    1.33594e+03   -4.23669e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28379e+03    1.44681e+05    2.73975e+05   -1.77805e+04   -2.18699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20920e+04   -1.72086e+06    3.49295e+05   -1.37157e+06    1.88672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09291e+02   -2.17303e+02    5.98880e+01    3.40669e-06

           Step           Time
      194230000   388460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42833e+03    2.37449e+04    1.63243e+04    1.38893e+03   -4.38010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13263e+03    1.45220e+05    2.74778e+05   -1.78190e+04   -2.19113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22077e+04   -1.72411e+06    3.50887e+05   -1.37322e+06    1.88677e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10701e+02   -2.18245e+02    3.15471e+00    3.52897e-06

           Step           Time
      194235000   388470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34565e+03    2.34808e+04    1.64322e+04    1.36078e+03   -4.35477e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.34937e+03    1.44977e+05    2.73253e+05   -1.78146e+04   -2.19124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22192e+04   -1.72599e+06    3.51133e+05   -1.37485e+06    1.88684e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.18138e+02   -2.36906e+01    3.17361e-06

           Step           Time
      194240000   388480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45292e+03    2.35639e+04    1.63317e+04    1.39194e+03   -4.42841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11119e+03    1.44542e+05    2.73868e+05   -1.78032e+04   -2.19156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22371e+04   -1.72629e+06    3.48374e+05   -1.37791e+06    1.88694e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08476e+02   -2.17858e+02   -8.02528e+01    3.48687e-06

           Step           Time
      194245000   388490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25271e+03    2.35475e+04    1.64964e+04    1.28945e+03   -4.25853e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13963e+03    1.45170e+05    2.73516e+05   -1.78524e+04   -2.19037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23035e+04   -1.72476e+06    3.50855e+05   -1.37391e+06    1.88696e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10672e+02   -2.19063e+02    1.23697e+01    3.49259e-06

           Step           Time
      194250000   388500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38668e+03    2.33953e+04    1.64802e+04    1.30256e+03   -4.38475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22062e+03    1.45076e+05    2.76883e+05   -1.78649e+04   -2.19361e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21876e+04   -1.72492e+06    3.50465e+05   -1.37446e+06    1.88706e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10327e+02   -2.19370e+02    1.15551e+02    3.30004e-06

           Step           Time
      194255000   388510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60522e+03    2.29330e+04    1.62477e+04    1.38658e+03   -4.42335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19033e+03    1.45438e+05    2.72871e+05   -1.78393e+04   -2.19134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22915e+04   -1.72664e+06    3.50978e+05   -1.37566e+06    1.88712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.18741e+02   -6.62539e+01    3.42760e-06

           Step           Time
      194260000   388520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41729e+03    2.39667e+04    1.63240e+04    1.39212e+03   -4.40161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06427e+03    1.45012e+05    2.72752e+05   -1.78401e+04   -2.18966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22386e+04   -1.72474e+06    3.49670e+05   -1.37507e+06    1.88727e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09623e+02   -2.18762e+02   -8.78161e+01    3.46132e-06

           Step           Time
      194265000   388530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27852e+03    2.38207e+04    1.62914e+04    1.37472e+03   -4.37865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14301e+03    1.45150e+05    2.74482e+05   -1.78009e+04   -2.19226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23836e+04   -1.72552e+06    3.47751e+05   -1.37777e+06    1.88735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07924e+02   -2.17802e+02   -7.39707e+00    3.46293e-06

           Step           Time
      194270000   388540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46469e+03    2.37088e+04    1.63237e+04    1.44887e+03   -4.24201e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18751e+03    1.45042e+05    2.75523e+05   -1.78043e+04   -2.19116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23986e+04   -1.72311e+06    3.49830e+05   -1.37328e+06    1.88742e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09765e+02   -2.17885e+02    8.71892e+01    3.53276e-06

           Step           Time
      194275000   388550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57837e+03    2.34603e+04    1.61831e+04    1.29195e+03   -4.30209e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15270e+03    1.45004e+05    2.74338e+05   -1.78705e+04   -2.19197e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23164e+04   -1.72582e+06    3.49038e+05   -1.37678e+06    1.88749e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09064e+02   -2.19507e+02    1.04573e+02    3.39172e-06

           Step           Time
      194280000   388560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.68692e+03    2.34685e+04    1.64415e+04    1.41057e+03   -4.29433e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07070e+03    1.45020e+05    2.72288e+05   -1.78145e+04   -2.18751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21984e+04   -1.72303e+06    3.51022e+05   -1.37201e+06    1.88758e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10820e+02   -2.18134e+02   -3.21222e+01    3.42566e-06

           Step           Time
      194285000   388570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43633e+03    2.36283e+04    1.65516e+04    1.46067e+03   -4.19384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11963e+03    1.45355e+05    2.75316e+05   -1.78569e+04   -2.19156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21148e+04   -1.72363e+06    3.50077e+05   -1.37356e+06    1.88763e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09984e+02   -2.19173e+02    9.56483e+01    3.43137e-06

           Step           Time
      194290000   388580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35749e+03    2.36546e+04    1.67212e+04    1.42577e+03   -4.33193e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08945e+03    1.45015e+05    2.72444e+05   -1.78446e+04   -2.18709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22055e+04   -1.72235e+06    3.49646e+05   -1.37270e+06    1.88773e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09602e+02   -2.18873e+02   -2.53101e+01    3.55711e-06

           Step           Time
      194295000   388590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53187e+03    2.38821e+04    1.64364e+04    1.40466e+03   -4.39344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19672e+03    1.45072e+05    2.73872e+05   -1.78626e+04   -2.19011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23771e+04   -1.72360e+06    3.50612e+05   -1.37298e+06    1.88785e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10457e+02   -2.19314e+02    7.36948e+01    3.38928e-06

           Step           Time
      194300000   388600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28254e+03    2.34125e+04    1.64097e+04    1.41606e+03   -4.22972e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03463e+03    1.45563e+05    2.74055e+05   -1.78053e+04   -2.18992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21872e+04   -1.72360e+06    3.50011e+05   -1.37359e+06    1.88792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09925e+02   -2.17911e+02    2.88815e+00    3.55848e-06

           Step           Time
      194305000   388610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42197e+03    2.35761e+04    1.63512e+04    1.26926e+03   -4.17060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07258e+03    1.45489e+05    2.73054e+05   -1.78117e+04   -2.19005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23055e+04   -1.72449e+06    3.50822e+05   -1.37367e+06    1.88801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10643e+02   -2.18067e+02   -7.13797e+01    3.51046e-06

           Step           Time
      194310000   388620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.65295e+03    2.36317e+04    1.62801e+04    1.30983e+03   -4.11681e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03460e+03    1.44952e+05    2.73483e+05   -1.78145e+04   -2.19055e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21728e+04   -1.72496e+06    3.48984e+05   -1.37598e+06    1.88809e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09016e+02   -2.18134e+02   -4.17442e+01    3.38152e-06

           Step           Time
      194315000   388630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59602e+03    2.42838e+04    1.62615e+04    1.39211e+03   -4.31000e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.94045e+03    1.44885e+05    2.74216e+05   -1.78377e+04   -2.18920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23620e+04   -1.72241e+06    3.50656e+05   -1.37175e+06    1.88819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.18702e+02   -6.50849e+01    3.46341e-06

           Step           Time
      194320000   388640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55468e+03    2.38570e+04    1.63377e+04    1.23937e+03   -4.29845e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18595e+03    1.45142e+05    2.73833e+05   -1.78388e+04   -2.19104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23534e+04   -1.72467e+06    3.50089e+05   -1.37458e+06    1.88831e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09994e+02   -2.18730e+02   -1.86481e+01    3.50890e-06

           Step           Time
      194325000   388650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40906e+03    2.37640e+04    1.63748e+04    1.47326e+03   -4.24291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19287e+03    1.45121e+05    2.70746e+05   -1.78235e+04   -2.18803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21509e+04   -1.72487e+06    3.48875e+05   -1.37599e+06    1.88830e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08919e+02   -2.18355e+02   -1.49902e+02    3.43940e-06

           Step           Time
      194330000   388660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47918e+03    2.38158e+04    1.63729e+04    1.44490e+03   -4.42189e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04183e+03    1.45422e+05    2.73186e+05   -1.78513e+04   -2.18906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20874e+04   -1.72348e+06    3.49766e+05   -1.37371e+06    1.88841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09708e+02   -2.19037e+02   -3.39683e+01    3.39477e-06

           Step           Time
      194335000   388670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58325e+03    2.38010e+04    1.65686e+04    1.45418e+03   -4.17557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11347e+03    1.44759e+05    2.74004e+05   -1.78063e+04   -2.18880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22988e+04   -1.72220e+06    3.49146e+05   -1.37306e+06    1.88851e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09159e+02   -2.17934e+02   -9.67202e+00    3.44093e-06

           Step           Time
      194340000   388680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40818e+03    2.36407e+04    1.62727e+04    1.36378e+03   -4.35974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11925e+03    1.46011e+05    2.73744e+05   -1.78083e+04   -2.19213e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21692e+04   -1.72557e+06    3.49564e+05   -1.37601e+06    1.88857e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09529e+02   -2.17982e+02   -4.68631e+01    3.55755e-06

           Step           Time
      194345000   388690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45832e+03    2.33508e+04    1.63391e+04    1.47561e+03   -4.37028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00482e+03    1.45723e+05    2.74086e+05   -1.78323e+04   -2.19134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21357e+04   -1.72497e+06    3.49695e+05   -1.37528e+06    1.88863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09645e+02   -2.18571e+02   -3.99551e+01    3.48105e-06

           Step           Time
      194350000   388700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07865e+03    2.34508e+04    1.64231e+04    1.34890e+03   -4.28294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14638e+03    1.45248e+05    2.74148e+05   -1.77979e+04   -2.19185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22673e+04   -1.72582e+06    3.49650e+05   -1.37617e+06    1.88871e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09605e+02   -2.17730e+02   -2.49030e+01    3.48097e-06

           Step           Time
      194355000   388710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44316e+03    2.40090e+04    1.65017e+04    1.34615e+03   -4.40814e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12467e+03    1.45683e+05    2.72032e+05   -1.77832e+04   -2.18619e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22865e+04   -1.72095e+06    3.49915e+05   -1.37104e+06    1.88885e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.17369e+02   -2.74211e+01    3.40666e-06

           Step           Time
      194360000   388720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44017e+03    2.36499e+04    1.63531e+04    1.43359e+03   -4.23876e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15050e+03    1.45030e+05    2.75007e+05   -1.77979e+04   -2.19097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22341e+04   -1.72370e+06    3.48691e+05   -1.37501e+06    1.88887e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08756e+02   -2.17730e+02    6.36975e+00    3.33089e-06

           Step           Time
      194365000   388730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.77654e+03    2.41923e+04    1.64711e+04    1.42995e+03   -4.20830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.94125e+03    1.45680e+05    2.73348e+05   -1.78326e+04   -2.18905e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21543e+04   -1.72210e+06    3.50941e+05   -1.37116e+06    1.88897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10748e+02   -2.18578e+02   -1.94374e+01    3.42955e-06

           Step           Time
      194370000   388740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36010e+03    2.35236e+04    1.62815e+04    1.40445e+03   -4.22288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03686e+03    1.45331e+05    2.74156e+05   -1.77762e+04   -2.18917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23999e+04   -1.72268e+06    3.49974e+05   -1.37270e+06    1.88895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09892e+02   -2.17198e+02   -6.12254e+01    3.58777e-06

           Step           Time
      194375000   388750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34650e+03    2.36056e+04    1.62580e+04    1.47468e+03   -4.28213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20965e+03    1.45603e+05    2.73977e+05   -1.78181e+04   -2.18981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19806e+04   -1.72345e+06    3.51133e+05   -1.37232e+06    1.88904e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.18222e+02    8.13480e+01    3.42103e-06

           Step           Time
      194380000   388760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42018e+03    2.32901e+04    1.65127e+04    1.37568e+03   -4.25203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13272e+03    1.45801e+05    2.75750e+05   -1.78416e+04   -2.19484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20728e+04   -1.72658e+06    3.49855e+05   -1.37672e+06    1.88919e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09787e+02   -2.18798e+02    5.24457e+01    3.38084e-06

           Step           Time
      194385000   388770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46203e+03    2.31441e+04    1.63737e+04    1.35226e+03   -4.27942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08674e+03    1.45651e+05    2.77081e+05   -1.78461e+04   -2.19485e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23204e+04   -1.72550e+06    3.48216e+05   -1.37729e+06    1.88925e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08336e+02   -2.18910e+02    8.31638e+01    3.55827e-06

           Step           Time
      194390000   388780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07920e+03    2.34164e+04    1.63482e+04    1.41757e+03   -4.23748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14169e+03    1.45424e+05    2.72626e+05   -1.78415e+04   -2.19080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22840e+04   -1.72614e+06    3.49278e+05   -1.37686e+06    1.88926e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09276e+02   -2.18796e+02   -2.38479e+01    3.42738e-06

           Step           Time
      194395000   388790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55080e+03    2.34030e+04    1.65425e+04    1.40888e+03   -4.34340e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12874e+03    1.45496e+05    2.75261e+05   -1.78764e+04   -2.19496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21968e+04   -1.72719e+06    3.50040e+05   -1.37715e+06    1.88940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09951e+02   -2.19651e+02    9.65408e+01    3.36475e-06

           Step           Time
      194400000   388800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33706e+03    2.34246e+04    1.63769e+04    1.40326e+03   -4.24861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11932e+03    1.46201e+05    2.74393e+05   -1.78216e+04   -2.19250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21580e+04   -1.72515e+06    3.50419e+05   -1.37473e+06    1.88947e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10286e+02   -2.18308e+02    3.50194e+00    3.42964e-06

           Step           Time
      194405000   388810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13757e+03    2.35902e+04    1.65561e+04    1.51492e+03   -4.28623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14539e+03    1.45535e+05    2.71485e+05   -1.78430e+04   -2.18926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19977e+04   -1.72543e+06    3.50743e+05   -1.37469e+06    1.88954e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10573e+02   -2.18834e+02   -2.53762e+01    3.35412e-06

           Step           Time
      194410000   388820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59462e+03    2.34800e+04    1.64185e+04    1.39798e+03   -4.36366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14798e+03    1.45305e+05    2.75132e+05   -1.78845e+04   -2.19303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22215e+04   -1.72558e+06    3.50571e+05   -1.37501e+06    1.88967e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10421e+02   -2.19850e+02    2.40045e+01    3.41069e-06

           Step           Time
      194415000   388830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14648e+03    2.36691e+04    1.63178e+04    1.37149e+03   -4.34449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27368e+03    1.44999e+05    2.73422e+05   -1.78246e+04   -2.18878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21470e+04   -1.72360e+06    3.50323e+05   -1.37328e+06    1.88971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10202e+02   -2.18382e+02    5.87641e+01    3.28606e-06

           Step           Time
      194420000   388840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26183e+03    2.37281e+04    1.63070e+04    1.30736e+03   -4.26757e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19971e+03    1.45688e+05    2.75103e+05   -1.78548e+04   -2.19440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20599e+04   -1.72687e+06    3.48912e+05   -1.37796e+06    1.88983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08951e+02   -2.19121e+02    6.10278e+01    3.34092e-06

           Step           Time
      194425000   388850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37303e+03    2.37591e+04    1.65230e+04    1.40358e+03   -4.27863e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13979e+03    1.45259e+05    2.72507e+05   -1.78392e+04   -2.18996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19321e+04   -1.72518e+06    3.51234e+05   -1.37395e+06    1.88985e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11008e+02   -2.18739e+02   -7.10953e+01    3.64277e-06

           Step           Time
      194430000   388860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35116e+03    2.36680e+04    1.63184e+04    1.40762e+03   -4.34264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12935e+03    1.45067e+05    2.74539e+05   -1.78847e+04   -2.19373e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21233e+04   -1.72736e+06    3.50666e+05   -1.37669e+06    1.88994e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10505e+02   -2.19856e+02    4.53837e+01    3.46076e-06

           Step           Time
      194435000   388870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47482e+03    2.36922e+04    1.64080e+04    1.35822e+03   -4.31315e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09913e+03    1.45142e+05    2.75780e+05   -1.78391e+04   -2.19318e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23439e+04   -1.72503e+06    3.48892e+05   -1.37614e+06    1.89012e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08934e+02   -2.18738e+02    2.93062e+00    3.42382e-06

           Step           Time
      194440000   388880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28164e+03    2.37100e+04    1.62910e+04    1.38844e+03   -4.26450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21965e+03    1.44949e+05    2.73650e+05   -1.78420e+04   -2.19183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21032e+04   -1.72635e+06    3.50267e+05   -1.37608e+06    1.89017e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.18808e+02   -1.95087e+01    3.39218e-06

           Step           Time
      194445000   388890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54434e+03    2.38770e+04    1.62880e+04    1.32559e+03   -4.22652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14414e+03    1.45118e+05    2.74861e+05   -1.78165e+04   -2.19316e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22641e+04   -1.72578e+06    3.51004e+05   -1.37478e+06    1.89025e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10804e+02   -2.18183e+02    7.36424e+00    3.29307e-06

           Step           Time
      194450000   388900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54172e+03    2.35331e+04    1.63970e+04    1.30408e+03   -4.13385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14086e+03    1.44903e+05    2.75322e+05   -1.78083e+04   -2.19204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22262e+04   -1.72462e+06    3.48950e+05   -1.37567e+06    1.89031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08986e+02   -2.17983e+02    2.71608e+01    3.27972e-06

           Step           Time
      194455000   388910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15666e+03    2.37712e+04    1.65904e+04    1.42688e+03   -4.34127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22425e+03    1.44812e+05    2.74105e+05   -1.78159e+04   -2.18848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22592e+04   -1.72229e+06    3.50095e+05   -1.37220e+06    1.89039e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10000e+02   -2.18170e+02    6.53233e+01    3.29457e-06

           Step           Time
      194460000   388920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57919e+03    2.35724e+04    1.64410e+04    1.35495e+03   -4.20401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17821e+03    1.45159e+05    2.73887e+05   -1.78294e+04   -2.18952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21295e+04   -1.72325e+06    3.50719e+05   -1.37253e+06    1.89046e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.18500e+02    1.92421e+01    3.44156e-06

           Step           Time
      194465000   388930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26533e+03    2.45018e+04    1.62641e+04    1.34603e+03   -4.33912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15483e+03    1.44836e+05    2.75766e+05   -1.78518e+04   -2.19232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21242e+04   -1.72425e+06    3.52360e+05   -1.37189e+06    1.89055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12005e+02   -2.19047e+02    1.12625e+02    3.56151e-06

           Step           Time
      194470000   388940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26092e+03    2.37801e+04    1.65317e+04    1.38834e+03   -4.21792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20604e+03    1.44623e+05    2.75344e+05   -1.78816e+04   -2.19154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22334e+04   -1.72427e+06    3.49791e+05   -1.37448e+06    1.89065e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09730e+02   -2.19780e+02    9.79326e+01    3.37567e-06

           Step           Time
      194475000   388950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25046e+03    2.33910e+04    1.63794e+04    1.35466e+03   -4.32485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17910e+03    1.45118e+05    2.72908e+05   -1.78105e+04   -2.19038e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21653e+04   -1.72577e+06    3.48939e+05   -1.37683e+06    1.89070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08976e+02   -2.18037e+02   -8.53160e+01    3.37340e-06

           Step           Time
      194480000   388960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.82254e+03    2.36654e+04    1.63496e+04    1.39802e+03   -4.25180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11083e+03    1.44343e+05    2.74691e+05   -1.78051e+04   -2.19087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24571e+04   -1.72409e+06    3.50207e+05   -1.37388e+06    1.89081e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10098e+02   -2.17905e+02   -1.11113e+01    3.48542e-06

           Step           Time
      194485000   388970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29715e+03    2.38722e+04    1.62113e+04    1.34109e+03   -4.34088e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21432e+03    1.45046e+05    2.73279e+05   -1.78169e+04   -2.18997e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22609e+04   -1.72461e+06    3.49441e+05   -1.37516e+06    1.89086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09421e+02   -2.18193e+02   -3.92203e+01    3.34074e-06

           Step           Time
      194490000   388980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58326e+03    2.36751e+04    1.62381e+04    1.35464e+03   -4.31875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12883e+03    1.44665e+05    2.72266e+05   -1.78068e+04   -2.19063e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23798e+04   -1.72646e+06    3.48615e+05   -1.37785e+06    1.89095e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08689e+02   -2.17947e+02   -1.67440e+02    3.24907e-06

           Step           Time
      194495000   388990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36423e+03    2.39170e+04    1.62344e+04    1.34936e+03   -4.26775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03966e+03    1.45008e+05    2.74727e+05   -1.78154e+04   -2.19203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22342e+04   -1.72524e+06    3.47487e+05   -1.37775e+06    1.89105e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07690e+02   -2.18156e+02   -2.85380e+01    3.37795e-06

           Step           Time
      194500000   389000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32122e+03    2.39823e+04    1.64423e+04    1.33349e+03   -4.35971e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07013e+03    1.44665e+05    2.73610e+05   -1.79001e+04   -2.19039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20380e+04   -1.72519e+06    3.49645e+05   -1.37554e+06    1.89112e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09601e+02   -2.20235e+02    5.12600e+01    3.48368e-06

           Step           Time
      194505000   389010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55804e+03    2.36265e+04    1.63223e+04    1.37914e+03   -4.32778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19407e+03    1.44778e+05    2.73525e+05   -1.78151e+04   -2.19102e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23297e+04   -1.72545e+06    3.50527e+05   -1.37492e+06    1.89120e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10382e+02   -2.18150e+02   -8.27567e+01    3.46309e-06

           Step           Time
      194510000   389020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37081e+03    2.42062e+04    1.63159e+04    1.40065e+03   -4.28213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05565e+03    1.44636e+05    2.74340e+05   -1.78192e+04   -2.18960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20264e+04   -1.72334e+06    3.49863e+05   -1.37348e+06    1.89130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09794e+02   -2.18250e+02    3.30076e+01    3.52269e-06

           Step           Time
      194515000   389030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32659e+03    2.37975e+04    1.65004e+04    1.41938e+03   -4.25009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16210e+03    1.45367e+05    2.73182e+05   -1.78659e+04   -2.19184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23171e+04   -1.72588e+06    3.51245e+05   -1.37464e+06    1.89136e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11018e+02   -2.19395e+02    4.85729e+01    3.47022e-06

           Step           Time
      194520000   389040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50422e+03    2.37812e+04    1.63263e+04    1.47280e+03   -4.36832e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07479e+03    1.44820e+05    2.73030e+05   -1.77842e+04   -2.18673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24675e+04   -1.72141e+06    3.50500e+05   -1.37091e+06    1.89142e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.17393e+02   -4.54791e+01    3.33764e-06

           Step           Time
      194525000   389050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.77712e+03    2.33995e+04    1.64190e+04    1.40263e+03   -4.25843e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10289e+03    1.45287e+05    2.73258e+05   -1.78083e+04   -2.19104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22392e+04   -1.72522e+06    3.50313e+05   -1.37491e+06    1.89152e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10192e+02   -2.17984e+02   -1.21986e+02    3.52909e-06

           Step           Time
      194530000   389060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16128e+03    2.37342e+04    1.61807e+04    1.37577e+03   -4.13412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07424e+03    1.44899e+05    2.71444e+05   -1.78441e+04   -2.18918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22163e+04   -1.72607e+06    3.48477e+05   -1.37760e+06    1.89155e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08567e+02   -2.18859e+02   -1.05862e+02    3.35892e-06

           Step           Time
      194535000   389070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32724e+03    2.40029e+04    1.63059e+04    1.35316e+03   -4.36957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09162e+03    1.44590e+05    2.74916e+05   -1.78101e+04   -2.19270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22432e+04   -1.72605e+06    3.50475e+05   -1.37558e+06    1.89168e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.18027e+02    4.68953e+01    3.45054e-06

           Step           Time
      194540000   389080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47977e+03    2.36739e+04    1.62987e+04    1.45985e+03   -4.27278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14618e+03    1.45244e+05    2.69971e+05   -1.77763e+04   -2.18707e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20957e+04   -1.72475e+06    3.48771e+05   -1.37598e+06    1.89177e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08827e+02   -2.17201e+02   -2.14422e+02    3.26764e-06

           Step           Time
      194545000   389090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42971e+03    2.36854e+04    1.64053e+04    1.46895e+03   -4.19743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11840e+03    1.45320e+05    2.72574e+05   -1.78174e+04   -2.18966e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22150e+04   -1.72446e+06    3.49480e+05   -1.37498e+06    1.89182e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09455e+02   -2.18207e+02   -4.40559e+00    3.56776e-06

           Step           Time
      194550000   389100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30892e+03    2.41060e+04    1.64412e+04    1.42296e+03   -4.27017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14177e+03    1.45144e+05    2.74355e+05   -1.78068e+04   -2.19094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22302e+04   -1.72387e+06    3.49433e+05   -1.37444e+06    1.89193e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09413e+02   -2.17946e+02   -6.50801e+00    3.52616e-06

           Step           Time
      194555000   389110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58806e+03    2.39783e+04    1.63011e+04    1.38562e+03   -4.25412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06572e+03    1.45242e+05    2.75861e+05   -1.78299e+04   -2.19417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20514e+04   -1.72578e+06    3.50069e+05   -1.37571e+06    1.89200e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09977e+02   -2.18513e+02   -3.06721e+01    3.29906e-06

           Step           Time
      194560000   389120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19771e+03    2.35351e+04    1.64457e+04    1.39006e+03   -4.30190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14632e+03    1.45395e+05    2.75597e+05   -1.78531e+04   -2.19310e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21339e+04   -1.72541e+06    3.49960e+05   -1.37545e+06    1.89203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09880e+02   -2.19079e+02    1.11102e+02    3.49038e-06

           Step           Time
      194565000   389130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39464e+03    2.33871e+04    1.62990e+04    1.42146e+03   -4.18687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03836e+03    1.45292e+05    2.73888e+05   -1.78532e+04   -2.18963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23050e+04   -1.72364e+06    3.49700e+05   -1.37394e+06    1.89211e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09650e+02   -2.19083e+02    1.01551e+01    3.38360e-06

           Step           Time
      194570000   389140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13459e+03    2.37330e+04    1.63490e+04    1.39297e+03   -4.32558e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15239e+03    1.45389e+05    2.73305e+05   -1.78508e+04   -2.19057e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23843e+04   -1.72490e+06    3.49155e+05   -1.37575e+06    1.89220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09167e+02   -2.19023e+02    2.61754e+01    3.59894e-06

           Step           Time
      194575000   389150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47083e+03    2.33457e+04    1.63812e+04    1.41069e+03   -4.38002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00789e+03    1.45268e+05    2.74962e+05   -1.78000e+04   -2.19201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20628e+04   -1.72528e+06    3.50244e+05   -1.37503e+06    1.89229e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10131e+02   -2.17781e+02   -2.07984e+01    3.28272e-06

           Step           Time
      194580000   389160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.05659e+03    2.38615e+04    1.64498e+04    1.46707e+03   -4.25486e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21271e+03    1.45215e+05    2.74303e+05   -1.78279e+04   -2.19142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23513e+04   -1.72459e+06    3.50843e+05   -1.37374e+06    1.89237e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10662e+02   -2.18463e+02    7.62880e+01    3.46825e-06

           Step           Time
      194585000   389170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35769e+03    2.42086e+04    1.62573e+04    1.41136e+03   -4.31307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28171e+03    1.45152e+05    2.73534e+05   -1.78807e+04   -2.18917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21341e+04   -1.72303e+06    3.51406e+05   -1.37162e+06    1.89247e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11160e+02   -2.19757e+02    9.99782e+01    3.39933e-06

           Step           Time
      194590000   389180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31840e+03    2.36979e+04    1.63297e+04    1.35311e+03   -4.30902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95614e+03    1.44509e+05    2.73678e+05   -1.78093e+04   -2.19116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20941e+04   -1.72635e+06    3.49974e+05   -1.37637e+06    1.89249e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09893e+02   -2.18008e+02   -8.04738e+01    3.30147e-06

           Step           Time
      194595000   389190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.66830e+03    2.38212e+04    1.61690e+04    1.48005e+03   -4.22219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21795e+03    1.45038e+05    2.73220e+05   -1.78717e+04   -2.18942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21794e+04   -1.72372e+06    3.51865e+05   -1.37186e+06    1.89254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11567e+02   -2.19536e+02   -5.93800e+00    3.60754e-06

           Step           Time
      194600000   389200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54242e+03    2.34996e+04    1.61237e+04    1.47876e+03   -4.23093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17824e+03    1.45118e+05    2.73488e+05   -1.78027e+04   -2.19034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23699e+04   -1.72458e+06    3.50651e+05   -1.37393e+06    1.89264e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.17846e+02   -1.03003e+02    3.43134e-06

           Step           Time
      194605000   389210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28350e+03    2.37988e+04    1.59820e+04    1.36215e+03   -4.19181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14183e+03    1.44337e+05    2.76885e+05   -1.78338e+04   -2.19389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23141e+04   -1.72581e+06    3.50284e+05   -1.37552e+06    1.89274e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10166e+02   -2.18607e+02    6.78355e+01    3.33901e-06

           Step           Time
      194610000   389220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28025e+03    2.39242e+04    1.62874e+04    1.40591e+03   -4.19889e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.93176e+03    1.44807e+05    2.72642e+05   -1.78349e+04   -2.18909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21932e+04   -1.72466e+06    3.50454e+05   -1.37420e+06    1.89280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10317e+02   -2.18634e+02   -6.39672e+01    3.41306e-06

           Step           Time
      194615000   389230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17578e+03    2.32166e+04    1.63041e+04    1.37421e+03   -4.30975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04025e+03    1.45068e+05    2.73989e+05   -1.78911e+04   -2.19307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20871e+04   -1.72801e+06    3.49564e+05   -1.37845e+06    1.89286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09529e+02   -2.20013e+02    2.91742e+01    3.33284e-06

           Step           Time
      194620000   389240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51002e+03    2.34960e+04    1.63983e+04    1.37283e+03   -4.34488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00883e+03    1.44922e+05    2.73372e+05   -1.78086e+04   -2.19043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24590e+04   -1.72504e+06    3.49793e+05   -1.37525e+06    1.89297e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09732e+02   -2.17991e+02   -9.91736e+01    3.34547e-06

           Step           Time
      194625000   389250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63469e+03    2.38740e+04    1.63534e+04    1.46246e+03   -4.30684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02871e+03    1.44254e+05    2.76067e+05   -1.78623e+04   -2.19328e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21223e+04   -1.72566e+06    3.49951e+05   -1.37571e+06    1.89310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09872e+02   -2.19305e+02    5.10277e+01    3.41224e-06

           Step           Time
      194630000   389260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55275e+03    2.38113e+04    1.62282e+04    1.41678e+03   -4.17652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05850e+03    1.44421e+05    2.70933e+05   -1.77753e+04   -2.18678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22510e+04   -1.72406e+06    3.50831e+05   -1.37323e+06    1.89315e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10651e+02   -2.17179e+02   -1.79456e+02    3.42224e-06

           Step           Time
      194635000   389270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69428e+03    2.38228e+04    1.62134e+04    1.26728e+03   -4.14291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12976e+03    1.44364e+05    2.72780e+05   -1.77801e+04   -2.18649e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23576e+04   -1.72178e+06    3.52801e+05   -1.36898e+06    1.89324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12396e+02   -2.17294e+02   -1.01229e+02    3.45680e-06

           Step           Time
      194640000   389280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18090e+03    2.34402e+04    1.64569e+04    1.38894e+03   -4.33811e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18625e+03    1.45203e+05    2.75218e+05   -1.78400e+04   -2.19388e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20818e+04   -1.72690e+06    3.49849e+05   -1.37705e+06    1.89332e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09782e+02   -2.18759e+02    6.59034e+01    3.30792e-06

           Step           Time
      194645000   389290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38559e+03    2.38508e+04    1.61712e+04    1.33905e+03   -4.29438e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12554e+03    1.44712e+05    2.73385e+05   -1.78205e+04   -2.19036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22314e+04   -1.72527e+06    3.50388e+05   -1.37488e+06    1.89341e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10259e+02   -2.18283e+02   -1.38976e+01    3.38447e-06

           Step           Time
      194650000   389300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43194e+03    2.35797e+04    1.64044e+04    1.33378e+03   -4.40004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14639e+03    1.45164e+05    2.72526e+05   -1.78464e+04   -2.19058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22582e+04   -1.72598e+06    3.49494e+05   -1.37648e+06    1.89353e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09467e+02   -2.18916e+02   -6.20851e+01    3.46888e-06

           Step           Time
      194655000   389310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23813e+03    2.38316e+04    1.63861e+04    1.45525e+03   -4.32175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11110e+03    1.45074e+05    2.75217e+05   -1.78161e+04   -2.19206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20670e+04   -1.72482e+06    3.52325e+05   -1.37250e+06    1.89356e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11974e+02   -2.18174e+02    1.21256e+02    3.48687e-06

           Step           Time
      194660000   389320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18222e+03    2.35927e+04    1.63975e+04    1.42637e+03   -4.25547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17784e+03    1.45192e+05    2.75078e+05   -1.78379e+04   -2.19249e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23018e+04   -1.72524e+06    3.51220e+05   -1.37402e+06    1.89369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10996e+02   -2.18708e+02    9.88555e+01    3.39578e-06

           Step           Time
      194665000   389330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50317e+03    2.35988e+04    1.64554e+04    1.42584e+03   -4.20602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03862e+03    1.44270e+05    2.75702e+05   -1.78105e+04   -2.19141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23162e+04   -1.72412e+06    3.50490e+05   -1.37363e+06    1.89372e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10349e+02   -2.18038e+02    2.15116e+00    3.31933e-06

           Step           Time
      194670000   389340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23979e+03    2.39573e+04    1.63108e+04    1.34159e+03   -4.18543e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09703e+03    1.44979e+05    2.73441e+05   -1.77775e+04   -2.18984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21866e+04   -1.72425e+06    3.51521e+05   -1.37273e+06    1.89382e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11262e+02   -2.17232e+02   -1.07490e+02    3.46438e-06

           Step           Time
      194675000   389350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53408e+03    2.34597e+04    1.63280e+04    1.47973e+03   -4.24554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16694e+03    1.44687e+05    2.78229e+05   -1.78460e+04   -2.19747e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21363e+04   -1.72755e+06    3.51827e+05   -1.37572e+06    1.89390e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11533e+02   -2.18907e+02    1.83079e+02    3.41696e-06

           Step           Time
      194680000   389360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52972e+03    2.39225e+04    1.64151e+04    1.42158e+03   -4.19769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11412e+03    1.44578e+05    2.76175e+05   -1.77816e+04   -2.19265e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21808e+04   -1.72429e+06    3.50987e+05   -1.37331e+06    1.89397e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10789e+02   -2.17330e+02    6.03264e+01    3.55251e-06

           Step           Time
      194685000   389370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39830e+03    2.38011e+04    1.62993e+04    1.43674e+03   -4.20094e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18267e+03    1.44686e+05    2.74290e+05   -1.78411e+04   -2.19220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24531e+04   -1.72569e+06    3.49384e+05   -1.37631e+06    1.89405e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09370e+02   -2.18786e+02   -1.92033e+01    3.33967e-06

           Step           Time
      194690000   389380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44633e+03    2.36773e+04    1.63238e+04    1.36540e+03   -4.29274e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11102e+03    1.44879e+05    2.76309e+05   -1.78400e+04   -2.19250e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22736e+04   -1.72425e+06    3.50817e+05   -1.37343e+06    1.89414e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.18760e+02    1.30261e+02    3.43293e-06

           Step           Time
      194695000   389390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35641e+03    2.37228e+04    1.64100e+04    1.28712e+03   -4.23862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13125e+03    1.45201e+05    2.72073e+05   -1.78306e+04   -2.18938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21814e+04   -1.72509e+06    3.51467e+05   -1.37362e+06    1.89424e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11214e+02   -2.18529e+02   -6.61321e+01    3.35227e-06

           Step           Time
      194700000   389400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40491e+03    2.35007e+04    1.63769e+04    1.46000e+03   -4.25148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22809e+03    1.45602e+05    2.73002e+05   -1.78643e+04   -2.19141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20159e+04   -1.72593e+06    3.50423e+05   -1.37551e+06    1.89433e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.19355e+02   -4.21963e+01    3.37933e-06

           Step           Time
      194705000   389410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25102e+03    2.34619e+04    1.62545e+04    1.35515e+03   -4.19105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28314e+03    1.45369e+05    2.73544e+05   -1.78071e+04   -2.18886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21025e+04   -1.72324e+06    3.51592e+05   -1.37164e+06    1.89435e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11325e+02   -2.17953e+02   -1.90932e+01    3.58014e-06

           Step           Time
      194710000   389420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43137e+03    2.35990e+04    1.62336e+04    1.41983e+03   -4.39658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12976e+03    1.45214e+05    2.74915e+05   -1.77782e+04   -2.19059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22983e+04   -1.72352e+06    3.51077e+05   -1.37245e+06    1.89445e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.17248e+02   -1.30293e+01    3.42125e-06

           Step           Time
      194715000   389430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07416e+03    2.37522e+04    1.63408e+04    1.38961e+03   -4.36334e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23553e+03    1.45701e+05    2.75846e+05   -1.78471e+04   -2.19399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21927e+04   -1.72567e+06    3.50784e+05   -1.37488e+06    1.89457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10610e+02   -2.18934e+02    1.65873e+02    3.42984e-06

Writing checkpoint, step 194718500 at Tue Jun 11 10:24:11 2024


           Step           Time
      194720000   389440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20020e+03    2.43871e+04    1.64518e+04    1.44792e+03   -4.23414e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16411e+03    1.45139e+05    2.73920e+05   -1.78142e+04   -2.19045e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22385e+04   -1.72355e+06    3.52467e+05   -1.37108e+06    1.89464e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.18128e+02    3.30468e+01    3.41778e-06

           Step           Time
      194725000   389450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59513e+03    2.34299e+04    1.65192e+04    1.32536e+03   -4.35432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16708e+03    1.44575e+05    2.74644e+05   -1.78451e+04   -2.19124e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21214e+04   -1.72506e+06    3.51863e+05   -1.37320e+06    1.89469e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11565e+02   -2.18884e+02    1.41254e+01    3.57918e-06

           Step           Time
      194730000   389460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37417e+03    2.36230e+04    1.63709e+04    1.34665e+03   -4.31373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07724e+03    1.45119e+05    2.73790e+05   -1.78678e+04   -2.19188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23267e+04   -1.72603e+06    3.47866e+05   -1.37817e+06    1.89480e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08025e+02   -2.19440e+02   -2.38408e+01    3.37971e-06

           Step           Time
      194735000   389470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43514e+03    2.36632e+04    1.62561e+04    1.33763e+03   -4.29954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.94467e+03    1.44830e+05    2.73683e+05   -1.78302e+04   -2.19106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22445e+04   -1.72580e+06    3.49641e+05   -1.37616e+06    1.89484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09597e+02   -2.18520e+02   -4.07234e+01    3.30638e-06

           Step           Time
      194740000   389480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58977e+03    2.40467e+04    1.63522e+04    1.39863e+03   -4.25140e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95731e+03    1.44738e+05    2.73061e+05   -1.78691e+04   -2.18916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21421e+04   -1.72399e+06    3.51890e+05   -1.37210e+06    1.89496e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11589e+02   -2.19473e+02   -2.83079e+01    3.59485e-06

           Step           Time
      194745000   389490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53904e+03    2.38421e+04    1.64863e+04    1.39032e+03   -4.33883e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12610e+03    1.45260e+05    2.72951e+05   -1.78937e+04   -2.19033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23624e+04   -1.72461e+06    3.51101e+05   -1.37351e+06    1.89506e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10890e+02   -2.20077e+02    1.12964e+01    3.33918e-06

           Step           Time
      194750000   389500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09303e+03    2.35726e+04    1.63991e+04    1.37668e+03   -4.29547e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15055e+03    1.45066e+05    2.73879e+05   -1.78262e+04   -2.19097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21579e+04   -1.72540e+06    3.50017e+05   -1.37538e+06    1.89508e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09930e+02   -2.18421e+02    5.15801e+01    3.49981e-06

           Step           Time
      194755000   389510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12750e+03    2.34950e+04    1.64366e+04    1.34922e+03   -4.36439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15696e+03    1.45760e+05    2.74654e+05   -1.77934e+04   -2.19189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21478e+04   -1.72492e+06    3.49373e+05   -1.37554e+06    1.89519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09360e+02   -2.17620e+02    3.46015e+01    3.52293e-06

           Step           Time
      194760000   389520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57657e+03    2.38378e+04    1.63270e+04    1.37071e+03   -4.17758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12398e+03    1.45341e+05    2.74779e+05   -1.78906e+04   -2.19156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21715e+04   -1.72410e+06    3.50934e+05   -1.37317e+06    1.89531e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10742e+02   -2.20002e+02    7.70416e+01    3.56319e-06

           Step           Time
      194765000   389530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39726e+03    2.38228e+04    1.62604e+04    1.48229e+03   -4.37447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09588e+03    1.45231e+05    2.73587e+05   -1.78260e+04   -2.19238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23493e+04   -1.72635e+06    3.51275e+05   -1.37507e+06    1.89536e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11045e+02   -2.18415e+02   -6.56762e+01    3.46338e-06

           Step           Time
      194770000   389540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42737e+03    2.39733e+04    1.63797e+04    1.39590e+03   -4.35736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31250e+03    1.45405e+05    2.74720e+05   -1.78267e+04   -2.19101e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22449e+04   -1.72333e+06    3.51279e+05   -1.37206e+06    1.89546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11048e+02   -2.18435e+02    1.09878e+02    3.31009e-06

           Step           Time
      194775000   389550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13566e+03    2.41237e+04    1.65283e+04    1.40316e+03   -4.23833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26057e+03    1.45583e+05    2.73992e+05   -1.78140e+04   -2.19070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20910e+04   -1.72363e+06    3.52097e+05   -1.37153e+06    1.89554e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11772e+02   -2.18122e+02    6.71444e+01    3.48738e-06

           Step           Time
      194780000   389560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19245e+03    2.38280e+04    1.64244e+04    1.39998e+03   -4.21678e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13218e+03    1.45527e+05    2.70408e+05   -1.78150e+04   -2.18816e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22282e+04   -1.72505e+06    3.50151e+05   -1.37490e+06    1.89559e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10049e+02   -2.18149e+02   -1.15220e+02    3.31349e-06

           Step           Time
      194785000   389570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33012e+03    2.35458e+04    1.63818e+04    1.40014e+03   -4.20138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99071e+03    1.45065e+05    2.73351e+05   -1.78257e+04   -2.18999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21431e+04   -1.72480e+06    3.49545e+05   -1.37526e+06    1.89569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09512e+02   -2.18410e+02   -9.57837e+01    3.39747e-06

           Step           Time
      194790000   389580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28122e+03    2.38219e+04    1.64146e+04    1.47651e+03   -4.27957e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.29013e+03    1.45501e+05    2.73609e+05   -1.78093e+04   -2.18979e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22440e+04   -1.72324e+06    3.52501e+05   -1.37074e+06    1.89577e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12130e+02   -2.18008e+02    3.35968e+01    3.53907e-06

           Step           Time
      194795000   389590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44418e+03    2.39302e+04    1.63646e+04    1.50473e+03   -4.41199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07128e+03    1.44852e+05    2.76528e+05   -1.78918e+04   -2.19551e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21705e+04   -1.72694e+06    3.48792e+05   -1.37815e+06    1.89586e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08846e+02   -2.20030e+02    1.12490e+02    3.24470e-06

           Step           Time
      194800000   389600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67704e+03    2.33153e+04    1.63696e+04    1.42440e+03   -4.26608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11509e+03    1.44819e+05    2.72837e+05   -1.78187e+04   -2.19123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21368e+04   -1.72662e+06    3.49873e+05   -1.37675e+06    1.89591e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09803e+02   -2.18239e+02   -1.41776e+02    3.36047e-06

           Step           Time
      194805000   389610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.79647e+03    2.40038e+04    1.60511e+04    1.32898e+03   -4.09791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03726e+03    1.45436e+05    2.73119e+05   -1.78090e+04   -2.18755e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23287e+04   -1.72136e+06    3.50678e+05   -1.37068e+06    1.89602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10516e+02   -2.18001e+02   -6.98696e+01    3.46721e-06

           Step           Time
      194810000   389620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53777e+03    2.36677e+04    1.64339e+04    1.46110e+03   -4.31880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02635e+03    1.45183e+05    2.72595e+05   -1.78314e+04   -2.18942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21134e+04   -1.72455e+06    3.51127e+05   -1.37343e+06    1.89607e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10914e+02   -2.18548e+02   -4.53798e+01    3.44582e-06

           Step           Time
      194815000   389630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39288e+03    2.38808e+04    1.64349e+04    1.35815e+03   -4.29468e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17187e+03    1.45245e+05    2.72929e+05   -1.78462e+04   -2.19142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23533e+04   -1.72579e+06    3.52120e+05   -1.37367e+06    1.89615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11792e+02   -2.18911e+02   -3.30683e+01    3.41006e-06

           Step           Time
      194820000   389640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.85410e+03    2.37703e+04    1.65595e+04    1.41723e+03   -4.43383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02713e+03    1.45105e+05    2.70383e+05   -1.77862e+04   -2.18389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21375e+04   -1.72085e+06    3.51096e+05   -1.36976e+06    1.89622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.17442e+02   -1.51812e+02    3.58450e-06

           Step           Time
      194825000   389650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51828e+03    2.38680e+04    1.64523e+04    1.44749e+03   -4.30953e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05712e+03    1.44662e+05    2.75531e+05   -1.78508e+04   -2.19498e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20000e+04   -1.72761e+06    3.50283e+05   -1.37732e+06    1.89639e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10166e+02   -2.19025e+02   -9.53566e+00    3.49642e-06

           Step           Time
      194830000   389660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25418e+03    2.36109e+04    1.64191e+04    1.35879e+03   -4.31793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95089e+03    1.45006e+05    2.75278e+05   -1.78340e+04   -2.19440e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22109e+04   -1.72746e+06    3.49192e+05   -1.37827e+06    1.89645e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09200e+02   -2.18613e+02    6.41315e+01    3.43339e-06

           Step           Time
      194835000   389670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32995e+03    2.36602e+04    1.64283e+04    1.38121e+03   -4.24648e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17665e+03    1.45809e+05    2.73526e+05   -1.78381e+04   -2.18941e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21291e+04   -1.72305e+06    3.51020e+05   -1.37203e+06    1.89648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10819e+02   -2.18714e+02    1.70787e+01    3.34477e-06

           Step           Time
      194840000   389680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43539e+03    2.35196e+04    1.63303e+04    1.34415e+03   -4.31426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31622e+03    1.45151e+05    2.72992e+05   -1.78932e+04   -2.18846e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22650e+04   -1.72331e+06    3.51106e+05   -1.37221e+06    1.89658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10895e+02   -2.20064e+02    1.07709e+02    3.54805e-06

           Step           Time
      194845000   389690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62970e+03    2.37838e+04    1.62362e+04    1.41455e+03   -4.29990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00291e+03    1.45289e+05    2.73098e+05   -1.77889e+04   -2.18754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20857e+04   -1.72209e+06    3.50749e+05   -1.37134e+06    1.89671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.17509e+02   -8.12130e+01    3.59402e-06

           Step           Time
      194850000   389700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22630e+03    2.36421e+04    1.65053e+04    1.47228e+03   -4.18649e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10254e+03    1.45331e+05    2.74070e+05   -1.78414e+04   -2.19225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20824e+04   -1.72585e+06    3.50487e+05   -1.37536e+06    1.89679e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10347e+02   -2.18794e+02   -2.77417e+01    3.47187e-06

           Step           Time
      194855000   389710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26040e+03    2.37442e+04    1.62490e+04    1.33233e+03   -4.12812e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10717e+03    1.45036e+05    2.74476e+05   -1.78234e+04   -2.19181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20188e+04   -1.72553e+06    3.49823e+05   -1.37571e+06    1.89690e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09759e+02   -2.18352e+02    1.51031e+01    3.44044e-06

           Step           Time
      194860000   389720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51229e+03    2.35098e+04    1.65548e+04    1.37056e+03   -4.36300e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04260e+03    1.45158e+05    2.73742e+05   -1.78057e+04   -2.19003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22132e+04   -1.72409e+06    3.51523e+05   -1.37257e+06    1.89696e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11264e+02   -2.17919e+02   -7.62705e+01    3.60876e-06

           Step           Time
      194865000   389730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28426e+03    2.36521e+04    1.63072e+04    1.44060e+03   -4.27056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10117e+03    1.45307e+05    2.76311e+05   -1.78411e+04   -2.19496e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23493e+04   -1.72632e+06    3.49791e+05   -1.37653e+06    1.89704e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09730e+02   -2.18787e+02    4.95285e+01    3.40790e-06

           Step           Time
      194870000   389740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44441e+03    2.37604e+04    1.63135e+04    1.31003e+03   -4.37506e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14241e+03    1.45048e+05    2.74202e+05   -1.78668e+04   -2.19139e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21631e+04   -1.72525e+06    3.48104e+05   -1.37714e+06    1.89721e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08236e+02   -2.19415e+02    4.39104e+01    3.40446e-06

           Step           Time
      194875000   389750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32238e+03    2.34595e+04    1.65361e+04    1.42348e+03   -4.21341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12641e+03    1.45225e+05    2.75473e+05   -1.78564e+04   -2.19382e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22859e+04   -1.72604e+06    3.48001e+05   -1.37804e+06    1.89730e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08145e+02   -2.19161e+02    8.47648e+01    3.34114e-06

           Step           Time
      194880000   389760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42341e+03    2.37137e+04    1.63811e+04    1.33678e+03   -4.28985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03128e+03    1.45034e+05    2.72630e+05   -1.78036e+04   -2.18982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21721e+04   -1.72519e+06    3.50154e+05   -1.37504e+06    1.89731e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10052e+02   -2.17870e+02   -6.59381e+01    3.39704e-06

           Step           Time
      194885000   389770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46474e+03    2.35579e+04    1.63324e+04    1.42863e+03   -4.23409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20725e+03    1.45078e+05    2.76525e+05   -1.78471e+04   -2.19392e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20399e+04   -1.72537e+06    3.48952e+05   -1.37642e+06    1.89739e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08987e+02   -2.18933e+02    7.75767e+01    3.36098e-06

           Step           Time
      194890000   389780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57776e+03    2.36578e+04    1.63477e+04    1.32753e+03   -4.38089e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14774e+03    1.44942e+05    2.72475e+05   -1.78505e+04   -2.18983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21755e+04   -1.72541e+06    3.50615e+05   -1.37480e+06    1.89747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10460e+02   -2.19016e+02   -5.53098e+01    3.48083e-06

           Step           Time
      194895000   389790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47042e+03    2.31877e+04    1.63690e+04    1.40630e+03   -4.25697e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02424e+03    1.45639e+05    2.72934e+05   -1.78062e+04   -2.19228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21761e+04   -1.72713e+06    3.48914e+05   -1.37822e+06    1.89759e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08954e+02   -2.17933e+02   -1.17936e+02    3.34381e-06

           Step           Time
      194900000   389800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46828e+03    2.39021e+04    1.62975e+04    1.40049e+03   -4.26583e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09866e+03    1.45067e+05    2.71438e+05   -1.78148e+04   -2.18716e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23980e+04   -1.72317e+06    3.50525e+05   -1.37264e+06    1.89764e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10380e+02   -2.18142e+02   -1.53297e+02    3.39825e-06

           Step           Time
      194905000   389810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49992e+03    2.38880e+04    1.64269e+04    1.45871e+03   -4.26911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05501e+03    1.45394e+05    2.75406e+05   -1.77852e+04   -2.19189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22823e+04   -1.72353e+06    3.52312e+05   -1.37122e+06    1.89773e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11962e+02   -2.17419e+02    1.96094e+01    3.38288e-06

           Step           Time
      194910000   389820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33972e+03    2.38128e+04    1.64459e+04    1.40400e+03   -4.27621e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16104e+03    1.44779e+05    2.74176e+05   -1.78264e+04   -2.19093e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21890e+04   -1.72473e+06    3.48706e+05   -1.37602e+06    1.89782e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08770e+02   -2.18427e+02    2.71138e+01    3.46139e-06

           Step           Time
      194915000   389830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46348e+03    2.35032e+04    1.61312e+04    1.34739e+03   -4.23154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05896e+03    1.45292e+05    2.75399e+05   -1.78373e+04   -2.19427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23630e+04   -1.72678e+06    3.49997e+05   -1.37678e+06    1.89792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09913e+02   -2.18692e+02    6.09022e+01    3.52036e-06

           Step           Time
      194920000   389840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53244e+03    2.39027e+04    1.63166e+04    1.44153e+03   -4.19167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04310e+03    1.45078e+05    2.74057e+05   -1.77919e+04   -2.18998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20965e+04   -1.72349e+06    3.49836e+05   -1.37366e+06    1.89801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09770e+02   -2.17582e+02    5.58268e+01    3.54198e-06

           Step           Time
      194925000   389850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37274e+03    2.31871e+04    1.63157e+04    1.40767e+03   -4.27493e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11726e+03    1.45404e+05    2.71845e+05   -1.77758e+04   -2.19021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20751e+04   -1.72654e+06    3.47855e+05   -1.37869e+06    1.89806e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08016e+02   -2.17190e+02   -2.20449e+02    3.38730e-06

           Step           Time
      194930000   389860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58680e+03    2.36816e+04    1.63503e+04    1.48123e+03   -4.27031e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12871e+03    1.45123e+05    2.73634e+05   -1.78188e+04   -2.19059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22569e+04   -1.72444e+06    3.50120e+05   -1.37432e+06    1.89817e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10021e+02   -2.18240e+02   -4.68449e+01    3.43624e-06

           Step           Time
      194935000   389870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56704e+03    2.35437e+04    1.63006e+04    1.45565e+03   -4.31861e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12632e+03    1.44965e+05    2.74421e+05   -1.78565e+04   -2.19317e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21710e+04   -1.72680e+06    3.49428e+05   -1.37737e+06    1.89826e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09409e+02   -2.19164e+02    4.44826e-01    3.46381e-06

           Step           Time
      194940000   389880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45818e+03    2.39914e+04    1.63321e+04    1.44693e+03   -4.38736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10216e+03    1.45600e+05    2.75916e+05   -1.78262e+04   -2.19305e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22301e+04   -1.72418e+06    3.49314e+05   -1.37487e+06    1.89835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09308e+02   -2.18423e+02    5.46956e+01    3.38400e-06

           Step           Time
      194945000   389890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48441e+03    2.36964e+04    1.64431e+04    1.47068e+03   -4.40610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99815e+03    1.45039e+05    2.73442e+05   -1.78292e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22790e+04   -1.72383e+06    3.50231e+05   -1.37360e+06    1.89841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10120e+02   -2.18494e+02   -1.04716e+02    3.37425e-06

           Step           Time
      194950000   389900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49617e+03    2.35633e+04    1.66006e+04    1.38146e+03   -4.34534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01745e+03    1.45752e+05    2.72970e+05   -1.78532e+04   -2.19000e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22098e+04   -1.72420e+06    3.51885e+05   -1.37232e+06    1.89847e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11584e+02   -2.19083e+02   -6.07737e+01    3.48060e-06

           Step           Time
      194955000   389910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31354e+03    2.37976e+04    1.63311e+04    1.39057e+03   -4.26921e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04519e+03    1.45030e+05    2.74244e+05   -1.78028e+04   -2.19146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22083e+04   -1.72518e+06    3.48048e+05   -1.37713e+06    1.89859e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08187e+02   -2.17849e+02   -7.44219e+01    3.34000e-06

           Step           Time
      194960000   389920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25342e+03    2.37363e+04    1.63420e+04    1.37504e+03   -4.35819e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23527e+03    1.45232e+05    2.70244e+05   -1.78442e+04   -2.18807e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19952e+04   -1.72586e+06    3.50032e+05   -1.37583e+06    1.89858e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09944e+02   -2.18863e+02   -8.21458e+01    3.49313e-06

           Step           Time
      194965000   389930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44168e+03    2.34747e+04    1.65555e+04    1.34684e+03   -4.24306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20129e+03    1.46048e+05    2.75975e+05   -1.78073e+04   -2.19451e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23105e+04   -1.72521e+06    3.50376e+05   -1.37483e+06    1.89869e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10248e+02   -2.17959e+02    1.00486e+02    3.40551e-06

           Step           Time
      194970000   389940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45222e+03    2.32414e+04    1.61892e+04    1.30315e+03   -4.33185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25522e+03    1.45287e+05    2.74939e+05   -1.78656e+04   -2.19433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22523e+04   -1.72761e+06    3.50180e+05   -1.37743e+06    1.89872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10075e+02   -2.19386e+02    9.14401e+01    3.61652e-06

           Step           Time
      194975000   389950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21062e+03    2.41350e+04    1.63027e+04    1.54833e+03   -4.33123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09402e+03    1.45497e+05    2.74698e+05   -1.78430e+04   -2.19153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21676e+04   -1.72406e+06    3.50404e+05   -1.37365e+06    1.89886e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10273e+02   -2.18832e+02    5.90901e+01    3.42229e-06

           Step           Time
      194980000   389960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26449e+03    2.37259e+04    1.62901e+04    1.38267e+03   -4.26488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20454e+03    1.45727e+05    2.74468e+05   -1.78270e+04   -2.19140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21578e+04   -1.72428e+06    3.50993e+05   -1.37328e+06    1.89889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10794e+02   -2.18441e+02    1.35242e+02    3.47059e-06

           Step           Time
      194985000   389970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37663e+03    2.39417e+04    1.63061e+04    1.38248e+03   -4.21348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10812e+03    1.45286e+05    2.74799e+05   -1.78362e+04   -2.19186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20920e+04   -1.72461e+06    3.51047e+05   -1.37357e+06    1.89900e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10843e+02   -2.18666e+02    1.08256e+02    3.57590e-06

           Step           Time
      194990000   389980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49768e+03    2.38800e+04    1.64403e+04    1.39119e+03   -4.36563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17924e+03    1.45277e+05    2.74881e+05   -1.78119e+04   -2.19227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22645e+04   -1.72464e+06    3.50386e+05   -1.37425e+06    1.89908e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10257e+02   -2.18071e+02    7.92752e+01    3.46511e-06

           Step           Time
      194995000   389990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45864e+03    2.35907e+04    1.63956e+04    1.36676e+03   -4.27102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19312e+03    1.45856e+05    2.73728e+05   -1.78651e+04   -2.19280e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22177e+04   -1.72612e+06    3.50758e+05   -1.37537e+06    1.89919e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10586e+02   -2.19374e+02   -1.00138e+01    3.53709e-06

           Step           Time
      195000000   390000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48221e+03    2.40503e+04    1.64085e+04    1.33969e+03   -4.34242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13450e+03    1.44851e+05    2.76441e+05   -1.78593e+04   -2.19314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23159e+04   -1.72432e+06    3.49910e+05   -1.37441e+06    1.89927e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09836e+02   -2.19232e+02    1.22353e+02    3.48610e-06

           Step           Time
      195005000   390010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63131e+03    2.35423e+04    1.64251e+04    1.45230e+03   -4.27347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19291e+03    1.45416e+05    2.74423e+05   -1.78569e+04   -2.19295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21040e+04   -1.72589e+06    3.49617e+05   -1.37628e+06    1.89934e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09576e+02   -2.19173e+02   -1.06130e+00    3.51105e-06

           Step           Time
      195010000   390020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43504e+03    2.31899e+04    1.66148e+04    1.37071e+03   -4.21887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21990e+03    1.46014e+05    2.73042e+05   -1.78927e+04   -2.19010e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23631e+04   -1.72396e+06    3.50720e+05   -1.37324e+06    1.89944e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10552e+02   -2.20051e+02   -8.42047e+00    3.46692e-06

           Step           Time
      195015000   390030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24017e+03    2.37090e+04    1.63653e+04    1.31993e+03   -4.23092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03041e+03    1.45813e+05    2.72565e+05   -1.78201e+04   -2.18980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21161e+04   -1.72469e+06    3.49177e+05   -1.37551e+06    1.89952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09186e+02   -2.18272e+02   -3.04185e+01    3.49790e-06

           Step           Time
      195020000   390040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55931e+03    2.30315e+04    1.62679e+04    1.33025e+03   -4.36911e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22017e+03    1.45881e+05    2.72085e+05   -1.78232e+04   -2.18837e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23085e+04   -1.72388e+06    3.51664e+05   -1.37222e+06    1.89957e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11389e+02   -2.18347e+02   -4.11814e+01    3.37465e-06

           Step           Time
      195025000   390050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50058e+03    2.32787e+04    1.64352e+04    1.48959e+03   -4.20991e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17905e+03    1.45284e+05    2.75115e+05   -1.78311e+04   -2.19156e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22326e+04   -1.72408e+06    3.49186e+05   -1.37490e+06    1.89969e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09194e+02   -2.18541e+02    9.72648e+00    3.42207e-06

           Step           Time
      195030000   390060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25951e+03    2.37402e+04    1.61048e+04    1.41976e+03   -4.26014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08712e+03    1.45214e+05    2.74450e+05   -1.78033e+04   -2.19104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20907e+04   -1.72473e+06    3.50595e+05   -1.37414e+06    1.89970e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10442e+02   -2.17862e+02    7.48275e+00    3.43705e-06

           Step           Time
      195035000   390070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42243e+03    2.32181e+04    1.64021e+04    1.40160e+03   -4.15309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15331e+03    1.45719e+05    2.75474e+05   -1.78344e+04   -2.19338e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23789e+04   -1.72520e+06    3.51042e+05   -1.37415e+06    1.89982e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10838e+02   -2.18622e+02    5.97165e+01    3.48552e-06

           Step           Time
      195040000   390080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52948e+03    2.33371e+04    1.62223e+04    1.41525e+03   -4.31227e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20073e+03    1.45765e+05    2.73656e+05   -1.78254e+04   -2.18985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22435e+04   -1.72362e+06    3.49306e+05   -1.37431e+06    1.89989e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09301e+02   -2.18402e+02   -4.01504e+01    3.58702e-06

           Step           Time
      195045000   390090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24908e+03    2.35229e+04    1.66402e+04    1.45306e+03   -4.42194e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22001e+03    1.45956e+05    2.75382e+05   -1.78634e+04   -2.19309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21269e+04   -1.72482e+06    3.51192e+05   -1.37363e+06    1.90001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.19333e+02    1.20527e+02    3.42590e-06

           Step           Time
      195050000   390100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40361e+03    2.35784e+04    1.62990e+04    1.43165e+03   -4.21775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05331e+03    1.45747e+05    2.76171e+05   -1.78231e+04   -2.19303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21729e+04   -1.72422e+06    3.49423e+05   -1.37480e+06    1.90007e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09404e+02   -2.18346e+02   -2.24914e+01    3.41973e-06

           Step           Time
      195055000   390110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57954e+03    2.36265e+04    1.64339e+04    1.36049e+03   -4.30040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00901e+03    1.45345e+05    2.75841e+05   -1.78213e+04   -2.19110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21487e+04   -1.72287e+06    3.50740e+05   -1.37213e+06    1.90015e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.18302e+02    6.04122e+01    3.60025e-06

           Step           Time
      195060000   390120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44618e+03    2.41872e+04    1.63504e+04    1.51925e+03   -4.30810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10339e+03    1.45884e+05    2.71663e+05   -1.78071e+04   -2.18939e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22746e+04   -1.72407e+06    3.50833e+05   -1.37324e+06    1.90024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10653e+02   -2.17953e+02   -1.27008e+02    3.63179e-06

           Step           Time
      195065000   390130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41437e+03    2.35635e+04    1.64145e+04    1.49237e+03   -4.26348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08569e+03    1.45526e+05    2.71264e+05   -1.78190e+04   -2.18852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22655e+04   -1.72457e+06    3.50591e+05   -1.37398e+06    1.90027e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10438e+02   -2.18246e+02   -1.01723e+02    3.50018e-06

           Step           Time
      195070000   390140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39354e+03    2.35644e+04    1.60304e+04    1.37871e+03   -4.30423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06450e+03    1.45438e+05    2.73694e+05   -1.78294e+04   -2.19148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23961e+04   -1.72565e+06    3.49414e+05   -1.37624e+06    1.90037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09396e+02   -2.18499e+02    1.69105e+00    3.54206e-06

           Step           Time
      195075000   390150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45690e+03    2.35473e+04    1.62364e+04    1.41347e+03   -4.30791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13827e+03    1.45506e+05    2.75310e+05   -1.78256e+04   -2.19134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23720e+04   -1.72350e+06    3.50656e+05   -1.37284e+06    1.90047e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10496e+02   -2.18407e+02    7.29883e+01    3.74881e-06

           Step           Time
      195080000   390160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37703e+03    2.33756e+04    1.63458e+04    1.40814e+03   -4.38890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.88808e+03    1.45402e+05    2.75801e+05   -1.78223e+04   -2.19475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21431e+04   -1.72722e+06    3.48456e+05   -1.37876e+06    1.90054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08548e+02   -2.18325e+02   -5.85683e+01    3.44023e-06

           Step           Time
      195085000   390170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42720e+03    2.35941e+04    1.64400e+04    1.44047e+03   -4.29148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20138e+03    1.45050e+05    2.74110e+05   -1.78425e+04   -2.19164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21653e+04   -1.72535e+06    3.51006e+05   -1.37434e+06    1.90063e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10806e+02   -2.18821e+02    2.05773e+01    3.49881e-06

           Step           Time
      195090000   390180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49827e+03    2.33731e+04    1.63575e+04    1.40107e+03   -4.33150e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17223e+03    1.45440e+05    2.72810e+05   -1.77932e+04   -2.18940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24155e+04   -1.72406e+06    3.49863e+05   -1.37419e+06    1.90066e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09794e+02   -2.17614e+02   -7.52442e+01    3.32508e-06

           Step           Time
      195095000   390190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35216e+03    2.38490e+04    1.64036e+04    1.36643e+03   -4.35257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08618e+03    1.45530e+05    2.75222e+05   -1.77962e+04   -2.19177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22015e+04   -1.72391e+06    3.50172e+05   -1.37374e+06    1.90079e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10067e+02   -2.17688e+02    4.78320e+01    3.42857e-06

           Step           Time
      195100000   390200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47298e+03    2.36570e+04    1.65328e+04    1.43656e+03   -4.41706e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12817e+03    1.45115e+05    2.74991e+05   -1.78455e+04   -2.19151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23602e+04   -1.72408e+06    3.51159e+05   -1.37292e+06    1.90084e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10941e+02   -2.18894e+02    8.99600e+01    3.39068e-06

           Step           Time
      195105000   390210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20688e+03    2.40362e+04    1.62250e+04    1.36204e+03   -4.32597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10696e+03    1.45077e+05    2.75400e+05   -1.78243e+04   -2.19308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24452e+04   -1.72537e+06    3.50195e+05   -1.37517e+06    1.90092e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10088e+02   -2.18375e+02    1.55924e+01    3.47915e-06

           Step           Time
      195110000   390220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34080e+03    2.33342e+04    1.61909e+04    1.25924e+03   -4.26487e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10736e+03    1.45437e+05    2.73117e+05   -1.77986e+04   -2.19026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21189e+04   -1.72542e+06    3.49639e+05   -1.37578e+06    1.90101e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.17746e+02   -1.19539e+01    3.51493e-06

           Step           Time
      195115000   390230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27492e+03    2.34795e+04    1.63655e+04    1.43956e+03   -4.34045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11104e+03    1.44828e+05    2.73656e+05   -1.78093e+04   -2.19118e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19637e+04   -1.72621e+06    3.50369e+05   -1.37584e+06    1.90110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.18008e+02   -7.31436e+01    3.57539e-06

           Step           Time
      195120000   390240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30464e+03    2.40225e+04    1.63852e+04    1.37754e+03   -4.29696e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12532e+03    1.45237e+05    2.71977e+05   -1.78560e+04   -2.18667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21548e+04   -1.72224e+06    3.51032e+05   -1.37121e+06    1.90118e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10829e+02   -2.19151e+02    2.33452e+01    3.55253e-06

           Step           Time
      195125000   390250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42313e+03    2.36412e+04    1.62586e+04    1.32591e+03   -4.26982e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16424e+03    1.45831e+05    2.75494e+05   -1.78088e+04   -2.19412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21818e+04   -1.72588e+06    3.50167e+05   -1.37572e+06    1.90133e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10063e+02   -2.17996e+02   -1.22848e+01    3.50672e-06

           Step           Time
      195130000   390260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62264e+03    2.38371e+04    1.61816e+04    1.48875e+03   -4.34344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15916e+03    1.44813e+05    2.74307e+05   -1.78619e+04   -2.19231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21753e+04   -1.72593e+06    3.51859e+05   -1.37407e+06    1.90141e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11562e+02   -2.19296e+02    8.46498e+01    3.46536e-06

           Step           Time
      195135000   390270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15424e+03    2.36079e+04    1.61063e+04    1.35293e+03   -4.29875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09667e+03    1.45079e+05    2.74646e+05   -1.78506e+04   -2.19169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22493e+04   -1.72555e+06    3.49093e+05   -1.37646e+06    1.90142e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09113e+02   -2.19019e+02    8.70717e+01    3.45087e-06

           Step           Time
      195140000   390280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57329e+03    2.36664e+04    1.64547e+04    1.37645e+03   -4.23900e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17415e+03    1.44782e+05    2.76607e+05   -1.78090e+04   -2.19464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22319e+04   -1.72582e+06    3.49811e+05   -1.37601e+06    1.90154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09748e+02   -2.18001e+02    4.14778e+01    3.30684e-06

           Step           Time
      195145000   390290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.64267e+03    2.39139e+04    1.62771e+04    1.41710e+03   -4.32840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99675e+03    1.44972e+05    2.73764e+05   -1.78344e+04   -2.19046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22302e+04   -1.72441e+06    3.51876e+05   -1.37253e+06    1.90158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11577e+02   -2.18623e+02   -6.45685e+01    3.61308e-06

           Step           Time
      195150000   390300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36837e+03    2.36547e+04    1.62905e+04    1.32749e+03   -4.33148e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10745e+03    1.45185e+05    2.76104e+05   -1.78400e+04   -2.19624e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.72829e+06    3.49392e+05   -1.37889e+06    1.90170e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09377e+02   -2.18759e+02    8.35149e+01    3.29478e-06

           Step           Time
      195155000   390310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24828e+03    2.34437e+04    1.62115e+04    1.38997e+03   -4.28828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25717e+03    1.45322e+05    2.74669e+05   -1.78148e+04   -2.19261e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24814e+04   -1.72569e+06    3.48571e+05   -1.37712e+06    1.90178e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08650e+02   -2.18142e+02    7.55293e+01    3.51948e-06

           Step           Time
      195160000   390320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39194e+03    2.36889e+04    1.62571e+04    1.38141e+03   -4.26844e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21218e+03    1.44933e+05    2.73697e+05   -1.78483e+04   -2.18989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20729e+04   -1.72437e+06    3.50365e+05   -1.37401e+06    1.90185e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10239e+02   -2.18963e+02   -1.28576e+01    3.43565e-06

           Step           Time
      195165000   390330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38978e+03    2.36656e+04    1.62133e+04    1.32951e+03   -4.28290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17440e+03    1.45258e+05    2.74761e+05   -1.78109e+04   -2.19314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21737e+04   -1.72627e+06    3.49206e+05   -1.37706e+06    1.90194e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09213e+02   -2.18046e+02   -1.97177e+01    3.52791e-06

           Step           Time
      195170000   390340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29605e+03    2.38627e+04    1.65907e+04    1.38317e+03   -4.16944e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30683e+03    1.45159e+05    2.73952e+05   -1.78099e+04   -2.18969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23317e+04   -1.72278e+06    3.50700e+05   -1.37208e+06    1.90203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.18022e+02    7.52752e+01    3.51417e-06

           Step           Time
      195175000   390350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51300e+03    2.34957e+04    1.61640e+04    1.37543e+03   -4.28940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12475e+03    1.45350e+05    2.76828e+05   -1.78013e+04   -2.19591e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20902e+04   -1.72706e+06    3.51172e+05   -1.37589e+06    1.90208e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10953e+02   -2.17812e+02    1.04484e+02    3.66258e-06

           Step           Time
      195180000   390360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.65082e+03    2.40732e+04    1.64114e+04    1.37026e+03   -4.28287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.92808e+03    1.44487e+05    2.72989e+05   -1.78348e+04   -2.19059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23871e+04   -1.72541e+06    3.49448e+05   -1.37597e+06    1.90218e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09427e+02   -2.18633e+02   -1.23063e+02    3.49394e-06

           Step           Time
      195185000   390370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56040e+03    2.34874e+04    1.60110e+04    1.44260e+03   -4.32878e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03125e+03    1.44886e+05    2.76264e+05   -1.78592e+04   -2.19413e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20742e+04   -1.72656e+06    3.51149e+05   -1.37541e+06    1.90226e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10932e+02   -2.19230e+02    5.92801e+01    3.43900e-06

           Step           Time
      195190000   390380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32346e+03    2.37031e+04    1.62360e+04    1.36356e+03   -4.24758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13389e+03    1.45216e+05    2.72653e+05   -1.78406e+04   -2.19041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18487e+04   -1.72602e+06    3.50583e+05   -1.37544e+06    1.90236e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10432e+02   -2.18775e+02   -1.37189e+02    3.49475e-06

           Step           Time
      195195000   390390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.01145e+03    2.37716e+04    1.62849e+04    1.41002e+03   -4.24090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04982e+03    1.44972e+05    2.74472e+05   -1.78476e+04   -2.19194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21614e+04   -1.72589e+06    3.50239e+05   -1.37565e+06    1.90244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10127e+02   -2.18944e+02    6.16058e+01    3.48418e-06

           Step           Time
      195200000   390400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40713e+03    2.37286e+04    1.61995e+04    1.34170e+03   -4.35469e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15964e+03    1.45148e+05    2.75326e+05   -1.78337e+04   -2.19278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22050e+04   -1.72546e+06    3.51829e+05   -1.37363e+06    1.90251e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11535e+02   -2.18606e+02    6.18270e+01    3.47283e-06

           Step           Time
      195205000   390410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47788e+03    2.37013e+04    1.64670e+04    1.34152e+03   -4.29836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26812e+03    1.44456e+05    2.74247e+05   -1.78774e+04   -2.19422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21163e+04   -1.72833e+06    3.48762e+05   -1.37956e+06    1.90262e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08819e+02   -2.19676e+02   -5.11280e+00    3.55877e-06

           Step           Time
      195210000   390420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32916e+03    2.34132e+04    1.63133e+04    1.32329e+03   -4.26271e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24909e+03    1.45166e+05    2.74868e+05   -1.78668e+04   -2.19399e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22061e+04   -1.72725e+06    3.48583e+05   -1.37866e+06    1.90265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08661e+02   -2.19417e+02    3.36958e+01    3.50213e-06

           Step           Time
      195215000   390430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31573e+03    2.36571e+04    1.64669e+04    1.40363e+03   -4.32504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06058e+03    1.45549e+05    2.75712e+05   -1.78323e+04   -2.19477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22317e+04   -1.72653e+06    3.49373e+05   -1.37715e+06    1.90276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09360e+02   -2.18571e+02    7.54543e+01    3.53700e-06

           Step           Time
      195220000   390440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33299e+03    2.33835e+04    1.64807e+04    1.45681e+03   -4.18910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23204e+03    1.45465e+05    2.75640e+05   -1.78381e+04   -2.19418e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20618e+04   -1.72616e+06    3.50965e+05   -1.37519e+06    1.90286e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.18713e+02    1.11499e+02    3.44918e-06

           Step           Time
      195225000   390450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39815e+03    2.39044e+04    1.62689e+04    1.33879e+03   -4.30479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03473e+03    1.45039e+05    2.72633e+05   -1.78305e+04   -2.18983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22177e+04   -1.72513e+06    3.48386e+05   -1.37674e+06    1.90291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08487e+02   -2.18528e+02   -1.25453e+02    3.47410e-06

           Step           Time
      195230000   390460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53985e+03    2.37081e+04    1.63413e+04    1.30876e+03   -4.27392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02188e+03    1.44827e+05    2.76523e+05   -1.78634e+04   -2.19660e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22416e+04   -1.72823e+06    3.49339e+05   -1.37889e+06    1.90302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09330e+02   -2.19333e+02    5.59001e+01    3.62557e-06

           Step           Time
      195235000   390470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10558e+03    2.37582e+04    1.62948e+04    1.32391e+03   -4.19619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20599e+03    1.45327e+05    2.75056e+05   -1.78256e+04   -2.19182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23722e+04   -1.72440e+06    3.49639e+05   -1.37476e+06    1.90308e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.18407e+02    8.19456e+01    3.55352e-06

           Step           Time
      195240000   390480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51478e+03    2.38395e+04    1.63365e+04    1.36630e+03   -4.25325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05286e+03    1.45181e+05    2.72677e+05   -1.77952e+04   -2.18855e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23437e+04   -1.72328e+06    3.50095e+05   -1.37319e+06    1.90314e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10000e+02   -2.17663e+02   -5.29290e+01    3.52363e-06

           Step           Time
      195245000   390490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44329e+03    2.34193e+04    1.63977e+04    1.39518e+03   -4.30647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05315e+03    1.45594e+05    2.73181e+05   -1.78384e+04   -2.19136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24040e+04   -1.72562e+06    3.48696e+05   -1.37692e+06    1.90325e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08761e+02   -2.18721e+02   -7.50527e+01    3.42814e-06

           Step           Time
      195250000   390500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42592e+03    2.39941e+04    1.63096e+04    1.39647e+03   -4.33556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10992e+03    1.45390e+05    2.73942e+05   -1.78031e+04   -2.19060e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.72409e+06    3.51026e+05   -1.37307e+06    1.90335e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10824e+02   -2.17857e+02    2.51007e+01    3.59543e-06

           Step           Time
      195255000   390510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09533e+03    2.35730e+04    1.63078e+04    1.39221e+03   -4.12553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08753e+03    1.45955e+05    2.72309e+05   -1.78160e+04   -2.18730e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22000e+04   -1.72232e+06    3.50132e+05   -1.37219e+06    1.90340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10032e+02   -2.18171e+02   -6.27747e+01    3.54246e-06

           Step           Time
      195260000   390520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49478e+03    2.35646e+04    1.60677e+04    1.34078e+03   -4.29993e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04227e+03    1.45674e+05    2.72817e+05   -1.77936e+04   -2.19140e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21902e+04   -1.72630e+06    3.49198e+05   -1.37711e+06    1.90351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09205e+02   -2.17625e+02   -1.55475e+02    3.38746e-06

           Step           Time
      195265000   390530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10479e+03    2.37458e+04    1.62334e+04    1.35035e+03   -4.23436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16811e+03    1.45494e+05    2.74204e+05   -1.77804e+04   -2.19062e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24392e+04   -1.72389e+06    3.50502e+05   -1.37339e+06    1.90354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10359e+02   -2.17302e+02    5.73892e+00    3.47896e-06

           Step           Time
      195270000   390540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24501e+03    2.38457e+04    1.61006e+04    1.44915e+03   -4.19739e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10786e+03    1.45382e+05    2.75106e+05   -1.78095e+04   -2.19158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22853e+04   -1.72406e+06    3.52091e+05   -1.37197e+06    1.90364e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11766e+02   -2.18012e+02    2.37149e+01    3.61534e-06

           Step           Time
      195275000   390550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16949e+03    2.35658e+04    1.62941e+04    1.39988e+03   -4.21410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26690e+03    1.45674e+05    2.75384e+05   -1.78373e+04   -2.19345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21017e+04   -1.72565e+06    3.49543e+05   -1.37611e+06    1.90374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09510e+02   -2.18694e+02    1.22968e+02    3.56966e-06

           Step           Time
      195280000   390560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35714e+03    2.35864e+04    1.62331e+04    1.45722e+03   -4.27204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11426e+03    1.44930e+05    2.75316e+05   -1.78110e+04   -2.19039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22024e+04   -1.72327e+06    3.50235e+05   -1.37304e+06    1.90378e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10124e+02   -2.18050e+02    3.70532e+01    3.55326e-06

           Step           Time
      195285000   390570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31427e+03    2.36480e+04    1.64866e+04    1.45153e+03   -4.23570e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08035e+03    1.45438e+05    2.72220e+05   -1.77413e+04   -2.18635e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22730e+04   -1.72141e+06    3.49364e+05   -1.37205e+06    1.90391e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09352e+02   -2.16348e+02   -1.16661e+02    3.52883e-06

           Step           Time
      195290000   390580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16356e+03    2.40104e+04    1.63426e+04    1.38648e+03   -4.31830e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30561e+03    1.45057e+05    2.75126e+05   -1.78451e+04   -2.19387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21433e+04   -1.72650e+06    3.49534e+05   -1.37697e+06    1.90401e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09502e+02   -2.18883e+02    3.98343e-01    3.58767e-06

           Step           Time
      195295000   390590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31699e+03    2.33903e+04    1.64859e+04    1.37802e+03   -4.34191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07192e+03    1.45202e+05    2.73940e+05   -1.78390e+04   -2.19058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22226e+04   -1.72475e+06    3.49478e+05   -1.37527e+06    1.90403e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09453e+02   -2.18735e+02    8.90376e-01    3.50788e-06

           Step           Time
      195300000   390600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21967e+03    2.38102e+04    1.63959e+04    1.41576e+03   -4.34785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21135e+03    1.45098e+05    2.73245e+05   -1.78331e+04   -2.19007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22541e+04   -1.72460e+06    3.50275e+05   -1.37432e+06    1.90415e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10158e+02   -2.18590e+02    1.30588e+01    3.37758e-06

           Step           Time
      195305000   390610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21497e+03    2.38696e+04    1.63191e+04    1.41475e+03   -4.44444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23177e+03    1.44792e+05    2.73669e+05   -1.78283e+04   -2.19108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22637e+04   -1.72557e+06    3.51560e+05   -1.37401e+06    1.90422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11296e+02   -2.18474e+02   -2.13792e+01    3.51865e-06

           Step           Time
      195310000   390620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60343e+03    2.32157e+04    1.64106e+04    1.33240e+03   -4.25080e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19885e+03    1.44886e+05    2.73782e+05   -1.77861e+04   -2.18940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20969e+04   -1.72392e+06    3.50548e+05   -1.37337e+06    1.90429e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10400e+02   -2.17441e+02   -1.17678e+01    3.49133e-06

           Step           Time
      195315000   390630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24260e+03    2.37772e+04    1.65436e+04    1.43316e+03   -4.32932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18910e+03    1.45021e+05    2.75003e+05   -1.78693e+04   -2.19131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21688e+04   -1.72413e+06    3.49852e+05   -1.37427e+06    1.90440e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09785e+02   -2.19478e+02    1.46362e+02    3.48239e-06

           Step           Time
      195320000   390640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58358e+03    2.34843e+04    1.63102e+04    1.37820e+03   -4.34488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98168e+03    1.44882e+05    2.72931e+05   -1.78593e+04   -2.19252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22616e+04   -1.72791e+06    3.49086e+05   -1.37883e+06    1.90445e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09106e+02   -2.19233e+02   -1.39271e+02    3.40390e-06

           Step           Time
      195325000   390650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37865e+03    2.37062e+04    1.64959e+04    1.38328e+03   -4.27421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14036e+03    1.45244e+05    2.76250e+05   -1.78145e+04   -2.19271e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21185e+04   -1.72408e+06    3.51266e+05   -1.37282e+06    1.90457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11037e+02   -2.18136e+02    6.90718e+01    3.64601e-06

           Step           Time
      195330000   390660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.03306e+03    2.37751e+04    1.62841e+04    1.35140e+03   -4.21512e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18144e+03    1.45597e+05    2.74948e+05   -1.78488e+04   -2.19252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23048e+04   -1.72511e+06    3.51085e+05   -1.37402e+06    1.90466e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10876e+02   -2.18974e+02    1.28333e+02    3.53534e-06

           Step           Time
      195335000   390670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30682e+03    2.41094e+04    1.63052e+04    1.36933e+03   -4.23463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17705e+03    1.45037e+05    2.74921e+05   -1.77853e+04   -2.19486e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24200e+04   -1.72724e+06    3.50468e+05   -1.37677e+06    1.90479e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10329e+02   -2.17422e+02    2.40417e+01    3.39683e-06

           Step           Time
      195340000   390680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30258e+03    2.32176e+04    1.62918e+04    1.37846e+03   -4.24374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08718e+03    1.45778e+05    2.73009e+05   -1.77934e+04   -2.18883e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23688e+04   -1.72344e+06    3.50686e+05   -1.37275e+06    1.90478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.17619e+02   -2.35223e+01    3.69043e-06

           Step           Time
      195345000   390690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35534e+03    2.42138e+04    1.63501e+04    1.42238e+03   -4.23744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13128e+03    1.44782e+05    2.72301e+05   -1.78030e+04   -2.18615e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23792e+04   -1.72125e+06    3.48869e+05   -1.37239e+06    1.90493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08914e+02   -2.17854e+02    1.61458e+01    3.52249e-06

           Step           Time
      195350000   390700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38910e+03    2.34206e+04    1.64261e+04    1.31311e+03   -4.31482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13628e+03    1.44924e+05    2.74909e+05   -1.78080e+04   -2.19044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23539e+04   -1.72369e+06    3.48377e+05   -1.37532e+06    1.90498e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08478e+02   -2.17977e+02    1.36894e+00    3.47938e-06

           Step           Time
      195355000   390710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51147e+03    2.31925e+04    1.62643e+04    1.45346e+03   -4.20195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13327e+03    1.45011e+05    2.72656e+05   -1.77997e+04   -2.18871e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23483e+04   -1.72414e+06    3.51528e+05   -1.37261e+06    1.90501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11268e+02   -2.17773e+02   -1.17238e+02    3.58060e-06

           Step           Time
      195360000   390720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27260e+03    2.36876e+04    1.64933e+04    1.38516e+03   -4.29699e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18177e+03    1.45175e+05    2.73506e+05   -1.77955e+04   -2.18753e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23075e+04   -1.72161e+06    3.51157e+05   -1.37046e+06    1.90512e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10940e+02   -2.17671e+02   -1.24006e+01    3.48514e-06

           Step           Time
      195365000   390730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35806e+03    2.36620e+04    1.62815e+04    1.41506e+03   -4.23413e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15020e+03    1.44955e+05    2.75374e+05   -1.78375e+04   -2.19078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21942e+04   -1.72347e+06    3.51678e+05   -1.37179e+06    1.90520e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11401e+02   -2.18698e+02    6.59421e+01    3.54634e-06

           Step           Time
      195370000   390740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21785e+03    2.32187e+04    1.61986e+04    1.38966e+03   -4.22618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23883e+03    1.45459e+05    2.76214e+05   -1.78171e+04   -2.19090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23623e+04   -1.72264e+06    3.48795e+05   -1.37385e+06    1.90532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08848e+02   -2.18199e+02    1.37116e+02    3.41838e-06

           Step           Time
      195375000   390750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36260e+03    2.33617e+04    1.62627e+04    1.38455e+03   -4.10633e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05771e+03    1.44840e+05    2.73078e+05   -1.78555e+04   -2.19103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21315e+04   -1.72652e+06    3.50918e+05   -1.37560e+06    1.90535e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10728e+02   -2.19140e+02   -4.26412e+01    3.51858e-06

           Step           Time
      195380000   390760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14642e+03    2.38718e+04    1.62226e+04    1.37766e+03   -4.20223e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19331e+03    1.45983e+05    2.71928e+05   -1.78544e+04   -2.18849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22217e+04   -1.72360e+06    3.50053e+05   -1.37355e+06    1.90543e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09962e+02   -2.19111e+02    5.24762e-01    3.58693e-06

           Step           Time
      195385000   390770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35924e+03    2.34035e+04    1.62025e+04    1.37519e+03   -4.29847e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12079e+03    1.45494e+05    2.74157e+05   -1.78130e+04   -2.19155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21884e+04   -1.72536e+06    3.50958e+05   -1.37440e+06    1.90553e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10764e+02   -2.18097e+02   -3.36364e+01    3.48680e-06

           Step           Time
      195390000   390780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56611e+03    2.36517e+04    1.62910e+04    1.36511e+03   -4.33117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06688e+03    1.45299e+05    2.74008e+05   -1.78201e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21217e+04   -1.72507e+06    3.51460e+05   -1.37361e+06    1.90563e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11208e+02   -2.18272e+02    7.89014e-01    3.61438e-06

           Step           Time
      195395000   390790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37395e+03    2.36487e+04    1.64831e+04    1.50286e+03   -4.27326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02273e+03    1.45441e+05    2.71133e+05   -1.78041e+04   -2.18637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22348e+04   -1.72261e+06    3.48946e+05   -1.37366e+06    1.90569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08982e+02   -2.17881e+02   -1.44436e+02    3.43666e-06

           Step           Time
      195400000   390800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47050e+03    2.37094e+04    1.64899e+04    1.42698e+03   -4.32494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18212e+03    1.45172e+05    2.73105e+05   -1.77914e+04   -2.18803e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21851e+04   -1.72241e+06    3.47765e+05   -1.37464e+06    1.90585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07937e+02   -2.17569e+02   -4.83517e+01    3.69438e-06

Writing checkpoint, step 195401700 at Tue Jun 11 10:39:11 2024


           Step           Time
      195405000   390810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25436e+03    2.32430e+04    1.63540e+04    1.41152e+03   -4.24317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23091e+03    1.45743e+05    2.71798e+05   -1.78267e+04   -2.19081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22573e+04   -1.72658e+06    3.48772e+05   -1.37781e+06    1.90588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08827e+02   -2.18434e+02   -8.58104e+01    3.55691e-06

           Step           Time
      195410000   390820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46932e+03    2.31825e+04    1.63311e+04    1.35562e+03   -4.36738e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02961e+03    1.46054e+05    2.73934e+05   -1.78107e+04   -2.19283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21661e+04   -1.72648e+06    3.48190e+05   -1.37829e+06    1.90601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08312e+02   -2.18041e+02   -6.62084e+01    3.54843e-06

           Step           Time
      195415000   390830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25875e+03    2.36099e+04    1.64798e+04    1.44008e+03   -4.31540e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18783e+03    1.45584e+05    2.74913e+05   -1.77888e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22184e+04   -1.72187e+06    3.51646e+05   -1.37022e+06    1.90604e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11372e+02   -2.17507e+02    3.86518e+01    3.56214e-06

           Step           Time
      195420000   390840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43966e+03    2.37600e+04    1.64257e+04    1.36351e+03   -4.26310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24850e+03    1.45219e+05    2.75209e+05   -1.78343e+04   -2.19169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22478e+04   -1.72388e+06    3.51075e+05   -1.37280e+06    1.90616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10867e+02   -2.18620e+02    5.70667e+01    3.54679e-06

           Step           Time
      195425000   390850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41418e+03    2.36528e+04    1.61945e+04    1.41304e+03   -4.30943e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19425e+03    1.45368e+05    2.75442e+05   -1.78623e+04   -2.19275e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23592e+04   -1.72488e+06    3.49469e+05   -1.37541e+06    1.90627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09445e+02   -2.19305e+02    1.45521e+02    3.51730e-06

           Step           Time
      195430000   390860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.95336e+03    2.35986e+04    1.64424e+04    1.42013e+03   -4.28990e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27777e+03    1.45810e+05    2.73736e+05   -1.77932e+04   -2.19150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23364e+04   -1.72501e+06    3.51851e+05   -1.37316e+06    1.90633e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11554e+02   -2.17613e+02    5.98550e+01    3.43540e-06

           Step           Time
      195435000   390870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40675e+03    2.36263e+04    1.64612e+04    1.43472e+03   -4.37318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12245e+03    1.45696e+05    2.73045e+05   -1.78242e+04   -2.19231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20961e+04   -1.72662e+06    3.48105e+05   -1.37852e+06    1.90641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08237e+02   -2.18372e+02   -6.04065e+01    3.49928e-06

           Step           Time
      195440000   390880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43905e+03    2.40747e+04    1.62783e+04    1.39399e+03   -4.35289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16415e+03    1.45359e+05    2.73269e+05   -1.78323e+04   -2.18864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23245e+04   -1.72253e+06    3.50980e+05   -1.37155e+06    1.90650e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.18570e+02    4.39852e+01    3.60154e-06

           Step           Time
      195445000   390890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47016e+03    2.36704e+04    1.64218e+04    1.39150e+03   -4.33582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18432e+03    1.45378e+05    2.75508e+05   -1.78369e+04   -2.19349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19798e+04   -1.72565e+06    3.50899e+05   -1.37476e+06    1.90660e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.18684e+02    6.29076e+01    3.40983e-06

           Step           Time
      195450000   390900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55526e+03    2.40733e+04    1.63823e+04    1.47383e+03   -4.31660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95982e+03    1.45216e+05    2.73680e+05   -1.78338e+04   -2.18910e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22662e+04   -1.72265e+06    3.51873e+05   -1.37078e+06    1.90665e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11574e+02   -2.18607e+02   -2.31720e+01    3.51519e-06

           Step           Time
      195455000   390910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62652e+03    2.35345e+04    1.62194e+04    1.35635e+03   -4.37626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07190e+03    1.45911e+05    2.75479e+05   -1.78280e+04   -2.19505e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21364e+04   -1.72692e+06    3.48772e+05   -1.37815e+06    1.90672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08828e+02   -2.18466e+02    4.24225e-01    3.57404e-06

           Step           Time
      195460000   390920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35576e+03    2.38207e+04    1.64859e+04    1.46088e+03   -4.32714e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05150e+03    1.45111e+05    2.75346e+05   -1.78586e+04   -2.19192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21549e+04   -1.72432e+06    3.48983e+05   -1.37534e+06    1.90682e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09014e+02   -2.19215e+02    8.34861e+01    3.42248e-06

           Step           Time
      195465000   390930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36361e+03    2.37468e+04    1.62407e+04    1.40578e+03   -4.25925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05784e+03    1.45577e+05    2.74830e+05   -1.78472e+04   -2.19419e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23163e+04   -1.72676e+06    3.49805e+05   -1.37696e+06    1.90691e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09742e+02   -2.18937e+02    5.72109e+00    3.44964e-06

           Step           Time
      195470000   390940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20260e+03    2.39326e+04    1.62682e+04    1.33469e+03   -4.22998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18173e+03    1.45699e+05    2.73383e+05   -1.78303e+04   -2.19147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22570e+04   -1.72528e+06    3.50919e+05   -1.37436e+06    1.90697e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10729e+02   -2.18521e+02   -1.75540e+01    3.52158e-06

           Step           Time
      195475000   390950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55534e+03    2.35145e+04    1.63122e+04    1.38864e+03   -4.24986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21398e+03    1.45350e+05    2.73884e+05   -1.78121e+04   -2.19106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24397e+04   -1.72447e+06    3.52290e+05   -1.37218e+06    1.90702e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11943e+02   -2.18076e+02   -3.71198e+01    3.59644e-06

           Step           Time
      195480000   390960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23246e+03    2.37509e+04    1.63051e+04    1.39001e+03   -4.28684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10456e+03    1.44887e+05    2.74792e+05   -1.77999e+04   -2.19105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22440e+04   -1.72443e+06    3.51743e+05   -1.37269e+06    1.90711e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11459e+02   -2.17778e+02    4.44399e+01    3.73887e-06

           Step           Time
      195485000   390970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36851e+03    2.38169e+04    1.62158e+04    1.34158e+03   -4.19827e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25028e+03    1.45603e+05    2.70463e+05   -1.77997e+04   -2.18507e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23455e+04   -1.72167e+06    3.50326e+05   -1.37134e+06    1.90720e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10204e+02   -2.17773e+02   -6.43911e+01    3.40370e-06

           Step           Time
      195490000   390980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46670e+03    2.37826e+04    1.63763e+04    1.38113e+03   -4.34183e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22304e+03    1.45853e+05    2.73991e+05   -1.78356e+04   -2.18981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23525e+04   -1.72256e+06    3.51842e+05   -1.37072e+06    1.90732e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11547e+02   -2.18651e+02    1.08121e+02    3.32535e-06

           Step           Time
      195495000   390990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44591e+03    2.34581e+04    1.63264e+04    1.36552e+03   -4.23899e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21167e+03    1.45724e+05    2.73058e+05   -1.78152e+04   -2.19175e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23854e+04   -1.72583e+06    3.50319e+05   -1.37551e+06    1.90738e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.18151e+02   -1.18984e+02    3.64354e-06

           Step           Time
      195500000   391000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31077e+03    2.38954e+04    1.62559e+04    1.33892e+03   -4.19573e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20564e+03    1.45509e+05    2.74560e+05   -1.78533e+04   -2.19064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23339e+04   -1.72328e+06    3.50122e+05   -1.37316e+06    1.90754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10023e+02   -2.19086e+02    6.84239e+01    3.61014e-06

           Step           Time
      195505000   391010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32585e+03    2.37904e+04    1.65193e+04    1.46176e+03   -4.24834e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12518e+03    1.45473e+05    2.70855e+05   -1.78133e+04   -2.18904e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25228e+04   -1.72503e+06    3.50406e+05   -1.37462e+06    1.90757e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10275e+02   -2.18105e+02   -1.48546e+02    3.36839e-06

           Step           Time
      195510000   391020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37691e+03    2.37934e+04    1.63690e+04    1.36423e+03   -4.25560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10465e+03    1.45833e+05    2.74483e+05   -1.78153e+04   -2.19200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22097e+04   -1.72454e+06    3.48239e+05   -1.37630e+06    1.90767e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08356e+02   -2.18154e+02   -6.15236e+00    3.49734e-06

           Step           Time
      195515000   391030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56390e+03    2.37782e+04    1.63602e+04    1.47941e+03   -4.25022e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10886e+03    1.45322e+05    2.73095e+05   -1.77787e+04   -2.18969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22344e+04   -1.72378e+06    3.49142e+05   -1.37464e+06    1.90776e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09155e+02   -2.17260e+02   -6.84176e+01    3.55339e-06

           Step           Time
      195520000   391040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46524e+03    2.37718e+04    1.64741e+04    1.39470e+03   -4.22032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11691e+03    1.45056e+05    2.76221e+05   -1.78428e+04   -2.19703e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22721e+04   -1.72832e+06    3.50394e+05   -1.37793e+06    1.90785e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10264e+02   -2.18829e+02    3.64928e+00    3.41194e-06

           Step           Time
      195525000   391050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55515e+03    2.33860e+04    1.62091e+04    1.35889e+03   -4.19778e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10359e+03    1.45447e+05    2.74744e+05   -1.77815e+04   -2.19233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23067e+04   -1.72520e+06    3.49812e+05   -1.37539e+06    1.90790e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09749e+02   -2.17328e+02   -6.87264e+01    3.69342e-06

           Step           Time
      195530000   391060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53229e+03    2.33756e+04    1.61596e+04    1.32885e+03   -4.27083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07043e+03    1.45232e+05    2.73493e+05   -1.78521e+04   -2.19039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22464e+04   -1.72508e+06    3.49205e+05   -1.37587e+06    1.90796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09211e+02   -2.19057e+02   -2.35215e+01    3.44825e-06

           Step           Time
      195535000   391070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39068e+03    2.39720e+04    1.64685e+04    1.38966e+03   -4.37661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10788e+03    1.45758e+05    2.73919e+05   -1.78330e+04   -2.19395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22862e+04   -1.72686e+06    3.49706e+05   -1.37716e+06    1.90810e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09655e+02   -2.18587e+02   -5.50852e+01    3.56319e-06

           Step           Time
      195540000   391080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54641e+03    2.35527e+04    1.62398e+04    1.48475e+03   -4.17096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06737e+03    1.45018e+05    2.73467e+05   -1.78424e+04   -2.19017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23044e+04   -1.72450e+06    3.51751e+05   -1.37275e+06    1.90819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11465e+02   -2.18819e+02   -2.51844e+01    3.61488e-06

           Step           Time
      195545000   391090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29536e+03    2.35683e+04    1.63303e+04    1.50115e+03   -4.22822e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15205e+03    1.45248e+05    2.73493e+05   -1.78328e+04   -2.18981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23321e+04   -1.72395e+06    3.49566e+05   -1.37438e+06    1.90819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09531e+02   -2.18582e+02    5.94919e+00    3.54219e-06

           Step           Time
      195550000   391100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41964e+03    2.33269e+04    1.62016e+04    1.37051e+03   -4.31527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14453e+03    1.45315e+05    2.74271e+05   -1.78331e+04   -2.19240e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20401e+04   -1.72646e+06    3.51355e+05   -1.37510e+06    1.90830e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11115e+02   -2.18590e+02    6.46173e+01    3.63822e-06

           Step           Time
      195555000   391110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55560e+03    2.37842e+04    1.61873e+04    1.40378e+03   -4.13974e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01008e+03    1.45384e+05    2.72496e+05   -1.78278e+04   -2.18801e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21722e+04   -1.72298e+06    3.51430e+05   -1.37155e+06    1.90836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.18461e+02   -8.96729e+01    3.53166e-06

           Step           Time
      195560000   391120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33502e+03    2.36219e+04    1.65869e+04    1.36262e+03   -4.20920e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18202e+03    1.45963e+05    2.76077e+05   -1.78341e+04   -2.19429e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22591e+04   -1.72495e+06    3.49802e+05   -1.37515e+06    1.90850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09740e+02   -2.18615e+02    1.04454e+02    3.60697e-06

           Step           Time
      195565000   391130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48511e+03    2.34219e+04    1.61042e+04    1.35814e+03   -4.23825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18418e+03    1.45626e+05    2.72488e+05   -1.77980e+04   -2.18944e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22326e+04   -1.72458e+06    3.51199e+05   -1.37338e+06    1.90851e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10977e+02   -2.17731e+02   -6.03405e+01    3.68153e-06

           Step           Time
      195570000   391140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41653e+03    2.36314e+04    1.62355e+04    1.41847e+03   -4.19791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16852e+03    1.45559e+05    2.73787e+05   -1.78171e+04   -2.19202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21173e+04   -1.72570e+06    3.50503e+05   -1.37520e+06    1.90863e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10360e+02   -2.18199e+02   -2.03522e+01    3.60993e-06

           Step           Time
      195575000   391150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54401e+03    2.34688e+04    1.62218e+04    1.42493e+03   -4.18585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08308e+03    1.45808e+05    2.75724e+05   -1.78068e+04   -2.19218e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22004e+04   -1.72370e+06    3.49639e+05   -1.37406e+06    1.90876e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09596e+02   -2.17947e+02    7.33987e+01    3.54838e-06

           Step           Time
      195580000   391160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33565e+03    2.39512e+04    1.62898e+04    1.46044e+03   -4.24672e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20277e+03    1.45523e+05    2.75188e+05   -1.78411e+04   -2.19151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21831e+04   -1.72346e+06    3.49571e+05   -1.37389e+06    1.90882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09535e+02   -2.18786e+02    8.78293e+01    3.56673e-06

           Step           Time
      195585000   391170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28613e+03    2.36460e+04    1.63122e+04    1.35848e+03   -4.20798e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12227e+03    1.45399e+05    2.75145e+05   -1.78206e+04   -2.19472e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20429e+04   -1.72744e+06    3.50441e+05   -1.37699e+06    1.90887e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10305e+02   -2.18285e+02   -1.50581e+01    3.72267e-06

           Step           Time
      195590000   391180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22314e+03    2.38919e+04    1.63432e+04    1.41172e+03   -4.17396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06130e+03    1.45276e+05    2.73574e+05   -1.77853e+04   -2.18877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22611e+04   -1.72269e+06    3.51257e+05   -1.37143e+06    1.90899e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11028e+02   -2.17422e+02    1.95036e+01    3.47231e-06

           Step           Time
      195595000   391190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29356e+03    2.40573e+04    1.64302e+04    1.33528e+03   -4.19617e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15592e+03    1.45284e+05    2.71987e+05   -1.78033e+04   -2.18791e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22125e+04   -1.72315e+06    3.51635e+05   -1.37152e+06    1.90901e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11363e+02   -2.17862e+02   -2.01899e+01    3.50237e-06

           Step           Time
      195600000   391200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27228e+03    2.33409e+04    1.61596e+04    1.49088e+03   -4.24153e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18199e+03    1.45649e+05    2.74511e+05   -1.78034e+04   -2.19360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21441e+04   -1.72690e+06    3.49156e+05   -1.37774e+06    1.90910e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09168e+02   -2.17863e+02   -1.70827e+01    3.44706e-06

           Step           Time
      195605000   391210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26359e+03    2.36963e+04    1.62840e+04    1.39582e+03   -4.20539e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10453e+03    1.45574e+05    2.71988e+05   -1.78512e+04   -2.18887e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20695e+04   -1.72455e+06    3.49882e+05   -1.37467e+06    1.90923e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09811e+02   -2.19034e+02   -7.34877e+01    3.40948e-06

           Step           Time
      195610000   391220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42065e+03    2.37802e+04    1.62418e+04    1.38205e+03   -4.11092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25550e+03    1.45095e+05    2.70502e+05   -1.78178e+04   -2.18510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22506e+04   -1.72210e+06    3.52669e+05   -1.36943e+06    1.90929e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12278e+02   -2.18216e+02   -4.26967e+01    3.63532e-06

           Step           Time
      195615000   391230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24631e+03    2.39682e+04    1.61479e+04    1.29558e+03   -4.27065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25165e+03    1.45774e+05    2.75087e+05   -1.78316e+04   -2.19352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21434e+04   -1.72571e+06    3.50192e+05   -1.37552e+06    1.90943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10085e+02   -2.18554e+02    7.23672e+01    3.40653e-06

           Step           Time
      195620000   391240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63376e+03    2.39834e+04    1.62125e+04    1.41012e+03   -4.23299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05179e+03    1.45000e+05    2.74955e+05   -1.77928e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24097e+04   -1.72332e+06    3.51405e+05   -1.37191e+06    1.90949e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11160e+02   -2.17604e+02   -3.64055e+01    3.52399e-06

           Step           Time
      195625000   391250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34205e+03    2.38874e+04    1.62208e+04    1.43355e+03   -4.20533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13235e+03    1.45371e+05    2.75397e+05   -1.78273e+04   -2.19230e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21653e+04   -1.72438e+06    3.51854e+05   -1.37253e+06    1.90954e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11557e+02   -2.18449e+02    6.97485e+01    3.47723e-06

           Step           Time
      195630000   391260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25202e+03    2.37234e+04    1.65242e+04    1.35729e+03   -4.31563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19554e+03    1.45537e+05    2.73601e+05   -1.77962e+04   -2.18813e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22402e+04   -1.72181e+06    3.51532e+05   -1.37027e+06    1.90961e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11272e+02   -2.17687e+02    1.77865e+01    3.61719e-06

           Step           Time
      195635000   391270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24561e+03    2.34000e+04    1.62761e+04    1.44215e+03   -4.19941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31855e+03    1.45552e+05    2.74278e+05   -1.78082e+04   -2.19216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23049e+04   -1.72535e+06    3.49622e+05   -1.37573e+06    1.90971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09581e+02   -2.17981e+02   -1.53805e+01    3.52973e-06

           Step           Time
      195640000   391280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40465e+03    2.37290e+04    1.62528e+04    1.35701e+03   -4.20769e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13119e+03    1.45243e+05    2.73694e+05   -1.77933e+04   -2.19196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20816e+04   -1.72607e+06    3.49470e+05   -1.37660e+06    1.90981e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09446e+02   -2.17616e+02   -1.13813e+02    3.74459e-06

           Step           Time
      195645000   391290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44790e+03    2.37824e+04    1.62467e+04    1.39411e+03   -4.25217e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99444e+03    1.44874e+05    2.73456e+05   -1.77850e+04   -2.18864e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22814e+04   -1.72320e+06    3.49631e+05   -1.37357e+06    1.90990e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09589e+02   -2.17414e+02   -5.51730e+01    3.65409e-06

           Step           Time
      195650000   391300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26856e+03    2.33463e+04    1.64408e+04    1.44385e+03   -4.17246e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28449e+03    1.45957e+05    2.72723e+05   -1.78590e+04   -2.18841e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21935e+04   -1.72278e+06    3.50947e+05   -1.37184e+06    1.90997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10753e+02   -2.19224e+02   -1.31027e+01    3.75107e-06

           Step           Time
      195655000   391310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18474e+03    2.34894e+04    1.63348e+04    1.39400e+03   -4.28452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07304e+03    1.45668e+05    2.72852e+05   -1.78011e+04   -2.19089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20328e+04   -1.72594e+06    3.48533e+05   -1.37741e+06    1.91002e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08616e+02   -2.17807e+02   -8.80067e+01    3.45946e-06

           Step           Time
      195660000   391320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31666e+03    2.34893e+04    1.63357e+04    1.29943e+03   -4.29057e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25906e+03    1.45922e+05    2.73896e+05   -1.78507e+04   -2.19161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23018e+04   -1.72493e+06    3.48643e+05   -1.37629e+06    1.91015e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08714e+02   -2.19022e+02    1.75861e+01    3.34515e-06

           Step           Time
      195665000   391330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32446e+03    2.35636e+04    1.62437e+04    1.35677e+03   -4.24680e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04957e+03    1.45529e+05    2.73070e+05   -1.78421e+04   -2.19319e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19222e+04   -1.72822e+06    3.50817e+05   -1.37740e+06    1.91021e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10639e+02   -2.18812e+02   -5.92812e+01    3.64920e-06

           Step           Time
      195670000   391340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41875e+03    2.34593e+04    1.62812e+04    1.40847e+03   -4.30365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00077e+03    1.45751e+05    2.74420e+05   -1.77929e+04   -2.19180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23083e+04   -1.72485e+06    3.50042e+05   -1.37481e+06    1.91029e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09952e+02   -2.17608e+02   -1.81755e+01    3.62210e-06

           Step           Time
      195675000   391350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21145e+03    2.36260e+04    1.64114e+04    1.36548e+03   -4.34297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16822e+03    1.45644e+05    2.76182e+05   -1.78914e+04   -2.19442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22300e+04   -1.72582e+06    3.50342e+05   -1.37548e+06    1.91042e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10218e+02   -2.20019e+02    1.99282e+02    3.55385e-06

           Step           Time
      195680000   391360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47186e+03    2.31094e+04    1.64058e+04    1.38311e+03   -4.24157e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06308e+03    1.45970e+05    2.77533e+05   -1.78002e+04   -2.19665e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21585e+04   -1.72659e+06    3.49507e+05   -1.37709e+06    1.91049e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09479e+02   -2.17785e+02    6.87627e+01    3.56610e-06

           Step           Time
      195685000   391370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37614e+03    2.35818e+04    1.61719e+04    1.42230e+03   -4.32258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18626e+03    1.45707e+05    2.70893e+05   -1.78159e+04   -2.18723e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22379e+04   -1.72379e+06    3.49455e+05   -1.37434e+06    1.91058e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09432e+02   -2.18169e+02   -7.58464e+01    3.53050e-06

           Step           Time
      195690000   391380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26285e+03    2.32926e+04    1.63656e+04    1.46499e+03   -4.24070e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15969e+03    1.45539e+05    2.72316e+05   -1.78281e+04   -2.18935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22893e+04   -1.72473e+06    3.49067e+05   -1.37566e+06    1.91068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09089e+02   -2.18468e+02   -4.42125e+01    3.57326e-06

           Step           Time
      195695000   391390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41313e+03    2.35521e+04    1.64105e+04    1.34562e+03   -4.13385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10171e+03    1.46067e+05    2.74290e+05   -1.78050e+04   -2.19076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21023e+04   -1.72342e+06    3.49655e+05   -1.37376e+06    1.91077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09610e+02   -2.17902e+02   -3.30906e+01    3.52369e-06

           Step           Time
      195700000   391400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49124e+03    2.37500e+04    1.62181e+04    1.42669e+03   -4.21226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09126e+03    1.45761e+05    2.74590e+05   -1.78465e+04   -2.19349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19463e+04   -1.72627e+06    3.50475e+05   -1.37580e+06    1.91081e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10336e+02   -2.18918e+02   -8.14428e-01    3.53105e-06

           Step           Time
      195705000   391410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38846e+03    2.39037e+04    1.63172e+04    1.42176e+03   -4.40522e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00031e+03    1.45726e+05    2.73940e+05   -1.78435e+04   -2.19086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20649e+04   -1.72435e+06    3.49382e+05   -1.37497e+06    1.91095e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09368e+02   -2.18845e+02    4.75655e+01    3.43712e-06

           Step           Time
      195710000   391420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43691e+03    2.35731e+04    1.62589e+04    1.39454e+03   -4.17735e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11229e+03    1.45558e+05    2.77396e+05   -1.78591e+04   -2.19645e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23891e+04   -1.72636e+06    3.50137e+05   -1.37623e+06    1.91101e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10036e+02   -2.19226e+02    7.35671e+01    3.49744e-06

           Step           Time
      195715000   391430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30947e+03    2.35846e+04    1.63520e+04    1.29674e+03   -4.22960e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27437e+03    1.46169e+05    2.75065e+05   -1.78085e+04   -2.19215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20977e+04   -1.72404e+06    3.47286e+05   -1.37675e+06    1.91113e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07512e+02   -2.17988e+02    9.19638e+01    3.41187e-06

           Step           Time
      195720000   391440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20290e+03    2.34915e+04    1.65529e+04    1.42182e+03   -4.39359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.35743e+03    1.45792e+05    2.73274e+05   -1.78293e+04   -2.19026e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21504e+04   -1.72424e+06    3.49712e+05   -1.37453e+06    1.91114e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09660e+02   -2.18498e+02    8.00048e+00    3.45323e-06

           Step           Time
      195725000   391450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09473e+03    2.37883e+04    1.61493e+04    1.34829e+03   -4.15925e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03939e+03    1.46132e+05    2.73864e+05   -1.78495e+04   -2.19266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20655e+04   -1.72619e+06    3.49063e+05   -1.37712e+06    1.91122e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09086e+02   -2.18993e+02   -3.00033e+01    3.57739e-06

           Step           Time
      195730000   391460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56688e+03    2.31735e+04    1.62862e+04    1.42026e+03   -4.24175e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11698e+03    1.45642e+05    2.72018e+05   -1.78131e+04   -2.19128e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22358e+04   -1.72687e+06    3.48666e+05   -1.37821e+06    1.91135e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08734e+02   -2.18102e+02   -1.89977e+02    3.30403e-06

           Step           Time
      195735000   391470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17265e+03    2.34199e+04    1.62543e+04    1.38238e+03   -4.39105e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19814e+03    1.46127e+05    2.72291e+05   -1.78495e+04   -2.19187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22755e+04   -1.72699e+06    3.48945e+05   -1.37804e+06    1.91139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08981e+02   -2.18992e+02   -1.64837e+01    3.46921e-06

           Step           Time
      195740000   391480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18139e+03    2.35354e+04    1.61290e+04    1.46034e+03   -4.23331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11447e+03    1.45776e+05    2.74085e+05   -1.78343e+04   -2.19406e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22078e+04   -1.72764e+06    3.50808e+05   -1.37683e+06    1.91143e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10630e+02   -2.18620e+02   -2.65035e+01    3.63994e-06

           Step           Time
      195745000   391490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.08812e+03    2.32514e+04    1.65658e+04    1.38904e+03   -4.27690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20681e+03    1.45813e+05    2.75544e+05   -1.78435e+04   -2.19467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23812e+04   -1.72656e+06    3.50580e+05   -1.37598e+06    1.91152e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10429e+02   -2.18846e+02    7.61020e+01    3.58250e-06

           Step           Time
      195750000   391500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43318e+03    2.33457e+04    1.63273e+04    1.48751e+03   -4.25285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23390e+03    1.45517e+05    2.72515e+05   -1.78020e+04   -2.18776e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22509e+04   -1.72271e+06    3.50388e+05   -1.37232e+06    1.91160e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10259e+02   -2.17828e+02    2.72758e+00    3.51438e-06

           Step           Time
      195755000   391510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33175e+03    2.38671e+04    1.63041e+04    1.37427e+03   -4.35369e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23486e+03    1.46017e+05    2.74620e+05   -1.78012e+04   -2.19091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23453e+04   -1.72297e+06    3.49833e+05   -1.37313e+06    1.91172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09767e+02   -2.17810e+02    8.73695e+01    3.51338e-06

           Step           Time
      195760000   391520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48919e+03    2.39686e+04    1.63318e+04    1.40290e+03   -4.27133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12706e+03    1.45506e+05    2.72493e+05   -1.78068e+04   -2.18985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20776e+04   -1.72453e+06    3.49114e+05   -1.37542e+06    1.91174e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09131e+02   -2.17947e+02   -4.89183e+01    3.52122e-06

           Step           Time
      195765000   391530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.11615e+03    2.37567e+04    1.62336e+04    1.46612e+03   -4.25813e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19291e+03    1.45641e+05    2.74144e+05   -1.78039e+04   -2.19056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22048e+04   -1.72386e+06    3.50639e+05   -1.37322e+06    1.91183e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10481e+02   -2.17876e+02    1.49638e+01    3.59498e-06

           Step           Time
      195770000   391540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22913e+03    2.36966e+04    1.63697e+04    1.43951e+03   -4.38836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18417e+03    1.45410e+05    2.74690e+05   -1.78230e+04   -2.19226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22541e+04   -1.72520e+06    3.51378e+05   -1.37382e+06    1.91189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11135e+02   -2.18342e+02    3.36590e+01    3.55467e-06

           Step           Time
      195775000   391550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45389e+03    2.38347e+04    1.63068e+04    1.42734e+03   -4.17762e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13445e+03    1.45954e+05    2.73176e+05   -1.77957e+04   -2.18886e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23282e+04   -1.72222e+06    3.49484e+05   -1.37274e+06    1.91200e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09458e+02   -2.17676e+02   -4.19032e+01    3.48598e-06

           Step           Time
      195780000   391560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47578e+03    2.35487e+04    1.64474e+04    1.37128e+03   -4.41119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25318e+03    1.45624e+05    2.74361e+05   -1.78076e+04   -2.19283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22273e+04   -1.72574e+06    3.49592e+05   -1.37615e+06    1.91210e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09554e+02   -2.17967e+02    2.67377e+01    3.41944e-06

           Step           Time
      195785000   391570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45629e+03    2.40693e+04    1.61328e+04    1.41891e+03   -4.35796e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10127e+03    1.45695e+05    2.75683e+05   -1.78654e+04   -2.19405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22361e+04   -1.72548e+06    3.48340e+05   -1.37714e+06    1.91221e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08445e+02   -2.19382e+02    5.78064e+01    3.50364e-06

           Step           Time
      195790000   391580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47251e+03    2.37333e+04    1.63431e+04    1.45140e+03   -4.17241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16916e+03    1.45510e+05    2.75466e+05   -1.78123e+04   -2.19299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21311e+04   -1.72470e+06    3.50098e+05   -1.37460e+06    1.91228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10002e+02   -2.18081e+02    5.12661e+01    3.55845e-06

           Step           Time
      195795000   391590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25892e+03    2.37631e+04    1.64465e+04    1.32644e+03   -4.30437e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20025e+03    1.45572e+05    2.75835e+05   -1.78069e+04   -2.19260e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22816e+04   -1.72403e+06    3.50331e+05   -1.37370e+06    1.91231e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10208e+02   -2.17949e+02    7.27462e+01    3.47780e-06

           Step           Time
      195800000   391600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18047e+03    2.36265e+04    1.62858e+04    1.37096e+03   -4.19221e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27941e+03    1.45336e+05    2.75679e+05   -1.78245e+04   -2.19445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21381e+04   -1.72657e+06    3.50123e+05   -1.37645e+06    1.91243e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.18379e+02    9.06390e+01    3.44017e-06

           Step           Time
      195805000   391610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.71994e+03    2.34581e+04    1.62937e+04    1.46274e+03   -4.23809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27605e+03    1.45085e+05    2.74014e+05   -1.78289e+04   -2.19126e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22856e+04   -1.72473e+06    3.50319e+05   -1.37441e+06    1.91254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.18487e+02    1.43707e+01    3.46778e-06

           Step           Time
      195810000   391620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37015e+03    2.38090e+04    1.63859e+04    1.37076e+03   -4.28280e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11815e+03    1.45772e+05    2.74188e+05   -1.78015e+04   -2.19105e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21871e+04   -1.72394e+06    3.49333e+05   -1.37461e+06    1.91261e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09324e+02   -2.17818e+02    1.89640e+01    3.45447e-06

           Step           Time
      195815000   391630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22745e+03    2.36559e+04    1.63790e+04    1.46507e+03   -4.30277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05274e+03    1.44930e+05    2.75844e+05   -1.78657e+04   -2.19577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20208e+04   -1.72837e+06    3.48677e+05   -1.37969e+06    1.91270e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08743e+02   -2.19389e+02    7.81846e+01    3.49044e-06

           Step           Time
      195820000   391640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23542e+03    2.38058e+04    1.65074e+04    1.41980e+03   -4.33997e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12968e+03    1.45427e+05    2.74246e+05   -1.78410e+04   -2.19282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24133e+04   -1.72582e+06    3.49918e+05   -1.37590e+06    1.91276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09843e+02   -2.18783e+02    2.57653e+01    3.27706e-06

           Step           Time
      195825000   391650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10641e+03    2.40079e+04    1.64818e+04    1.41680e+03   -4.22164e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27661e+03    1.45136e+05    2.74907e+05   -1.78094e+04   -2.19044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20892e+04   -1.72305e+06    3.50660e+05   -1.37239e+06    1.91280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.18011e+02    6.95200e+01    3.40041e-06

           Step           Time
      195830000   391660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31927e+03    2.36263e+04    1.63109e+04    1.40948e+03   -4.27784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18683e+03    1.45829e+05    2.73875e+05   -1.78638e+04   -2.19233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23031e+04   -1.72561e+06    3.49223e+05   -1.37639e+06    1.91290e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09227e+02   -2.19344e+02    1.94984e+01    3.55299e-06

           Step           Time
      195835000   391670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43473e+03    2.36067e+04    1.65522e+04    1.41798e+03   -4.24348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18169e+03    1.45193e+05    2.72934e+05   -1.78376e+04   -2.19003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20055e+04   -1.72478e+06    3.51216e+05   -1.37357e+06    1.91297e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.18700e+02   -2.41654e+01    3.48691e-06

           Step           Time
      195840000   391680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60144e+03    2.38533e+04    1.63617e+04    1.41458e+03   -4.32242e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08036e+03    1.45352e+05    2.73417e+05   -1.78292e+04   -2.19073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23021e+04   -1.72450e+06    3.50614e+05   -1.37389e+06    1.91306e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10459e+02   -2.18495e+02   -3.41464e+00    3.56549e-06

           Step           Time
      195845000   391690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30564e+03    2.39436e+04    1.63214e+04    1.35395e+03   -4.20035e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17173e+03    1.45877e+05    2.74323e+05   -1.78011e+04   -2.19202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20905e+04   -1.72463e+06    3.49852e+05   -1.37478e+06    1.91317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09784e+02   -2.17808e+02    5.35922e+01    3.56725e-06

           Step           Time
      195850000   391700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54537e+03    2.37106e+04    1.61264e+04    1.39206e+03   -4.23160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06043e+03    1.45931e+05    2.75766e+05   -1.78141e+04   -2.19420e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.72563e+06    3.50901e+05   -1.37473e+06    1.91326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.18126e+02    3.45066e+01    3.68641e-06

           Step           Time
      195855000   391710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44300e+03    2.43114e+04    1.64322e+04    1.47266e+03   -4.32024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17267e+03    1.46056e+05    2.75571e+05   -1.78339e+04   -2.19286e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25722e+04   -1.72298e+06    3.51846e+05   -1.37113e+06    1.91339e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.18611e+02    1.57285e+02    3.54498e-06

           Step           Time
      195860000   391720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40778e+03    2.34215e+04    1.62613e+04    1.39656e+03   -4.49005e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09192e+03    1.46004e+05    2.74993e+05   -1.78064e+04   -2.19340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22458e+04   -1.72587e+06    3.49513e+05   -1.37636e+06    1.91346e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09484e+02   -2.17937e+02   -4.41393e+01    3.47851e-06

           Step           Time
      195865000   391730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09850e+03    2.36979e+04    1.64026e+04    1.48099e+03   -4.23494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17745e+03    1.45776e+05    2.75391e+05   -1.78900e+04   -2.19186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23279e+04   -1.72363e+06    3.49919e+05   -1.37371e+06    1.91353e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09844e+02   -2.19985e+02    9.60158e+01    3.47231e-06

           Step           Time
      195870000   391740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30839e+03    2.34865e+04    1.62914e+04    1.34354e+03   -4.22828e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22318e+03    1.45663e+05    2.76384e+05   -1.78211e+04   -2.19468e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20843e+04   -1.72594e+06    3.49432e+05   -1.37651e+06    1.91363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09413e+02   -2.18297e+02    5.65687e+01    3.40482e-06

           Step           Time
      195875000   391750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39211e+03    2.41284e+04    1.61872e+04    1.38189e+03   -4.37434e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10482e+03    1.45175e+05    2.75349e+05   -1.78321e+04   -2.19352e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21334e+04   -1.72588e+06    3.48183e+05   -1.37769e+06    1.91371e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08306e+02   -2.18565e+02   -4.96105e+01    3.40161e-06

           Step           Time
      195880000   391760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28045e+03    2.39316e+04    1.63533e+04    1.40747e+03   -4.31081e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03668e+03    1.44983e+05    2.72079e+05   -1.78463e+04   -2.18709e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22134e+04   -1.72297e+06    3.49273e+05   -1.37369e+06    1.91375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09272e+02   -2.18914e+02   -6.88232e+01    3.48979e-06

           Step           Time
      195885000   391770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35371e+03    2.32968e+04    1.65864e+04    1.42143e+03   -4.35104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17905e+03    1.45509e+05    2.73571e+05   -1.78197e+04   -2.18906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21656e+04   -1.72315e+06    3.52661e+05   -1.37049e+06    1.91378e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12271e+02   -2.18263e+02    2.48652e+01    3.69768e-06

           Step           Time
      195890000   391780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.08056e+03    2.38594e+04    1.65696e+04    1.45360e+03   -4.23588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20357e+03    1.45296e+05    2.75930e+05   -1.78432e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20814e+04   -1.72290e+06    3.49180e+05   -1.37372e+06    1.91396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09189e+02   -2.18837e+02    1.00966e+02    3.50079e-06

           Step           Time
      195895000   391790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44225e+03    2.34054e+04    1.61726e+04    1.40174e+03   -4.16602e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15767e+03    1.45596e+05    2.72945e+05   -1.77803e+04   -2.18835e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21470e+04   -1.72303e+06    3.49616e+05   -1.37341e+06    1.91401e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09576e+02   -2.17300e+02   -8.56026e+01    3.54369e-06

           Step           Time
      195900000   391800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27524e+03    2.40040e+04    1.63258e+04    1.37999e+03   -4.32264e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11425e+03    1.45199e+05    2.73316e+05   -1.78249e+04   -2.18990e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21754e+04   -1.72426e+06    3.49635e+05   -1.37462e+06    1.91409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09592e+02   -2.18388e+02    4.71985e+00    3.54208e-06

           Step           Time
      195905000   391810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31610e+03    2.38926e+04    1.62835e+04    1.32020e+03   -4.32106e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08317e+03    1.45469e+05    2.75453e+05   -1.77993e+04   -2.19166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23923e+04   -1.72358e+06    3.49392e+05   -1.37418e+06    1.91416e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09377e+02   -2.17763e+02    9.43319e-01    3.40283e-06

           Step           Time
      195910000   391820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54221e+03    2.34525e+04    1.63046e+04    1.39339e+03   -4.10491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06723e+03    1.45590e+05    2.75529e+05   -1.78360e+04   -2.19415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21260e+04   -1.72608e+06    3.50077e+05   -1.37601e+06    1.91421e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09984e+02   -2.18661e+02    6.14841e+00    3.67085e-06

           Step           Time
      195915000   391830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55473e+03    2.40003e+04    1.63968e+04    1.35984e+03   -4.33661e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15415e+03    1.45224e+05    2.73710e+05   -1.78563e+04   -2.18985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23363e+04   -1.72331e+06    3.51499e+05   -1.37181e+06    1.91432e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11242e+02   -2.19158e+02    3.49515e+01    3.53236e-06

           Step           Time
      195920000   391840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29146e+03    2.35611e+04    1.62815e+04    1.37264e+03   -4.15626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.29262e+03    1.44736e+05    2.75537e+05   -1.78680e+04   -2.19371e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21352e+04   -1.72652e+06    3.50393e+05   -1.37613e+06    1.91438e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10263e+02   -2.19446e+02    1.36589e+02    3.49544e-06

           Step           Time
      195925000   391850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55700e+03    2.39860e+04    1.61499e+04    1.37169e+03   -4.22003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03304e+03    1.45078e+05    2.74382e+05   -1.78023e+04   -2.18867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23466e+04   -1.72179e+06    3.52088e+05   -1.36970e+06    1.91446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11764e+02   -2.17836e+02   -2.91286e+00    3.59085e-06

           Step           Time
      195930000   391860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.92922e+03    2.36802e+04    1.63107e+04    1.40151e+03   -4.40172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20498e+03    1.45641e+05    2.74111e+05   -1.78335e+04   -2.19173e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22308e+04   -1.72546e+06    3.49381e+05   -1.37608e+06    1.91452e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09367e+02   -2.18601e+02    9.33354e+00    3.50732e-06

           Step           Time
      195935000   391870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27923e+03    2.37901e+04    1.64576e+04    1.43401e+03   -4.20427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10171e+03    1.45531e+05    2.73907e+05   -1.77833e+04   -2.18999e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21171e+04   -1.72336e+06    3.50262e+05   -1.37309e+06    1.91463e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10148e+02   -2.17372e+02   -4.64009e+01    3.53468e-06

           Step           Time
      195940000   391880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.70449e+03    2.37013e+04    1.63680e+04    1.38330e+03   -4.23028e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02489e+03    1.45383e+05    2.74181e+05   -1.78201e+04   -2.19043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22579e+04   -1.72348e+06    3.51410e+05   -1.37207e+06    1.91471e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11164e+02   -2.18271e+02   -1.30497e+01    3.56577e-06

           Step           Time
      195945000   391890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32706e+03    2.35942e+04    1.62674e+04    1.39982e+03   -4.17253e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18199e+03    1.45692e+05    2.72657e+05   -1.78469e+04   -2.19013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20834e+04   -1.72495e+06    3.51416e+05   -1.37353e+06    1.91478e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.18927e+02   -5.15354e+01    3.45966e-06

           Step           Time
      195950000   391900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29814e+03    2.37723e+04    1.63078e+04    1.36753e+03   -4.24432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19552e+03    1.45405e+05    2.72427e+05   -1.78117e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22498e+04   -1.72448e+06    3.49897e+05   -1.37459e+06    1.91489e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09824e+02   -2.18066e+02   -3.92489e+01    3.60624e-06

           Step           Time
      195955000   391910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35626e+03    2.35840e+04    1.61908e+04    1.35362e+03   -3.99231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10301e+03    1.45027e+05    2.76340e+05   -1.78378e+04   -2.19502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21758e+04   -1.72672e+06    3.51363e+05   -1.37536e+06    1.91496e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11122e+02   -2.18706e+02    5.74915e+01    3.48333e-06

           Step           Time
      195960000   391920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35059e+03    2.36867e+04    1.64237e+04    1.38772e+03   -4.31403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15974e+03    1.45379e+05    2.75688e+05   -1.77952e+04   -2.19304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22510e+04   -1.72482e+06    3.49218e+05   -1.37561e+06    1.91503e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09223e+02   -2.17663e+02    4.37895e+01    3.59092e-06

           Step           Time
      195965000   391930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45821e+03    2.34521e+04    1.62397e+04    1.40119e+03   -4.20906e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01869e+03    1.45475e+05    2.74968e+05   -1.78109e+04   -2.19281e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22410e+04   -1.72558e+06    3.49382e+05   -1.37619e+06    1.91509e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09368e+02   -2.18046e+02   -6.96708e+01    3.63488e-06

           Step           Time
      195970000   391940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57247e+03    2.37337e+04    1.62432e+04    1.36776e+03   -4.18670e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11619e+03    1.45026e+05    2.73132e+05   -1.78302e+04   -2.19158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23621e+04   -1.72605e+06    3.49814e+05   -1.37623e+06    1.91520e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09750e+02   -2.18518e+02   -4.35804e+01    3.54778e-06

           Step           Time
      195975000   391950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36918e+03    2.32586e+04    1.61451e+04    1.43991e+03   -4.23391e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03844e+03    1.45136e+05    2.72912e+05   -1.78116e+04   -2.18951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22936e+04   -1.72497e+06    3.51036e+05   -1.37393e+06    1.91521e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10832e+02   -2.18065e+02   -7.46692e+01    3.57598e-06

           Step           Time
      195980000   391960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38739e+03    2.39455e+04    1.63736e+04    1.37934e+03   -4.20567e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01237e+03    1.45535e+05    2.73756e+05   -1.78173e+04   -2.19202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.72558e+06    3.49785e+05   -1.37579e+06    1.91532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09725e+02   -2.18204e+02    3.07416e+01    3.39971e-06

           Step           Time
      195985000   391970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50710e+03    2.36653e+04    1.62761e+04    1.43552e+03   -4.25476e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03676e+03    1.45165e+05    2.75495e+05   -1.77928e+04   -2.19176e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21995e+04   -1.72403e+06    3.51457e+05   -1.37257e+06    1.91541e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11205e+02   -2.17604e+02    8.91214e+01    3.70349e-06

           Step           Time
      195990000   391980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19335e+03    2.33346e+04    1.62704e+04    1.41823e+03   -4.31652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09969e+03    1.45474e+05    2.72047e+05   -1.78499e+04   -2.18978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21394e+04   -1.72597e+06    3.48070e+05   -1.37790e+06    1.91552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08206e+02   -2.19002e+02   -4.88935e+01    3.47988e-06

           Step           Time
      195995000   391990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.68876e+03    2.35793e+04    1.64583e+04    1.41659e+03   -4.13467e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17364e+03    1.44992e+05    2.75004e+05   -1.78549e+04   -2.19121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23166e+04   -1.72357e+06    3.49844e+05   -1.37373e+06    1.91564e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09777e+02   -2.19123e+02    6.93038e+01    3.45622e-06

           Step           Time
      196000000   392000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35905e+03    2.36621e+04    1.62561e+04    1.35394e+03   -4.19065e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18785e+03    1.45308e+05    2.74000e+05   -1.78555e+04   -2.19189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20372e+04   -1.72577e+06    3.50311e+05   -1.37546e+06    1.91569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10190e+02   -2.19140e+02    6.48655e+01    3.63563e-06

           Step           Time
      196005000   392010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42568e+03    2.34406e+04    1.62248e+04    1.48480e+03   -4.21100e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08179e+03    1.45509e+05    2.74931e+05   -1.78205e+04   -2.19190e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22171e+04   -1.72462e+06    3.48536e+05   -1.37609e+06    1.91580e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08619e+02   -2.18283e+02    2.21420e+01    3.43404e-06

           Step           Time
      196010000   392020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17199e+03    2.34586e+04    1.61625e+04    1.39253e+03   -4.23668e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13041e+03    1.45464e+05    2.74836e+05   -1.78198e+04   -2.19232e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21633e+04   -1.72560e+06    3.48743e+05   -1.37686e+06    1.91583e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08802e+02   -2.18265e+02    1.61568e+01    3.49246e-06

           Step           Time
      196015000   392030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39690e+03    2.39221e+04    1.64589e+04    1.45374e+03   -4.35587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.93177e+03    1.45272e+05    2.75051e+05   -1.78405e+04   -2.19463e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20208e+04   -1.72732e+06    3.49053e+05   -1.37826e+06    1.91600e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09077e+02   -2.18772e+02   -1.71359e+01    3.41110e-06

           Step           Time
      196020000   392040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29979e+03    2.36755e+04    1.63699e+04    1.43005e+03   -4.36572e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19602e+03    1.46102e+05    2.76570e+05   -1.78857e+04   -2.19590e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20323e+04   -1.72648e+06    3.50417e+05   -1.37606e+06    1.91602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10285e+02   -2.19881e+02    9.63630e+01    3.54418e-06

           Step           Time
      196025000   392050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40224e+03    2.33780e+04    1.63517e+04    1.41132e+03   -4.16043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07970e+03    1.45713e+05    2.72915e+05   -1.78163e+04   -2.19204e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21532e+04   -1.72661e+06    3.51340e+05   -1.37527e+06    1.91606e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.18180e+02   -4.35006e+01    3.47853e-06

           Step           Time
      196030000   392060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45200e+03    2.34705e+04    1.62698e+04    1.31673e+03   -4.30533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12336e+03    1.45803e+05    2.71998e+05   -1.78309e+04   -2.18814e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21158e+04   -1.72373e+06    3.49077e+05   -1.37465e+06    1.91615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09098e+02   -2.18536e+02   -5.15665e+01    3.40060e-06

           Step           Time
      196035000   392070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43164e+03    2.35610e+04    1.60966e+04    1.40175e+03   -4.16703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14329e+03    1.45628e+05    2.76595e+05   -1.77916e+04   -2.19341e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20602e+04   -1.72445e+06    3.48928e+05   -1.37552e+06    1.91627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08966e+02   -2.17575e+02    6.29968e+01    3.42835e-06

           Step           Time
      196040000   392080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52099e+03    2.39749e+04    1.62539e+04    1.31711e+03   -4.23172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99444e+03    1.45223e+05    2.75465e+05   -1.78636e+04   -2.19448e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23149e+04   -1.72651e+06    3.48944e+05   -1.37756e+06    1.91636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08980e+02   -2.19337e+02    5.43886e+01    3.36691e-06

           Step           Time
      196045000   392090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49290e+03    2.38549e+04    1.63239e+04    1.35504e+03   -4.18392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20231e+03    1.45575e+05    2.72067e+05   -1.78183e+04   -2.18830e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21614e+04   -1.72327e+06    3.52210e+05   -1.37106e+06    1.91640e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11872e+02   -2.18229e+02   -5.70617e+01    3.62163e-06

           Step           Time
      196050000   392100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31114e+03    2.33899e+04    1.64653e+04    1.47794e+03   -4.29533e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.32540e+03    1.45606e+05    2.74702e+05   -1.78146e+04   -2.18964e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22813e+04   -1.72219e+06    3.49148e+05   -1.37304e+06    1.91650e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09161e+02   -2.18137e+02    4.25357e+01    3.43583e-06

           Step           Time
      196055000   392110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.01911e+03    2.38535e+04    1.64708e+04    1.46230e+03   -4.34293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18702e+03    1.45495e+05    2.74496e+05   -1.78176e+04   -2.19107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22168e+04   -1.72403e+06    3.49613e+05   -1.37442e+06    1.91658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09573e+02   -2.18210e+02    1.78422e+01    3.58099e-06

           Step           Time
      196060000   392120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29663e+03    2.40667e+04    1.61023e+04    1.32804e+03   -4.13959e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16993e+03    1.45480e+05    2.77838e+05   -1.78233e+04   -2.19662e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22729e+04   -1.72603e+06    3.51153e+05   -1.37487e+06    1.91667e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10936e+02   -2.18350e+02    8.76240e+01    3.60965e-06

           Step           Time
      196065000   392130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10571e+03    2.37640e+04    1.62783e+04    1.38065e+03   -4.21045e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25478e+03    1.45589e+05    2.72692e+05   -1.78311e+04   -2.18822e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23315e+04   -1.72286e+06    3.49855e+05   -1.37301e+06    1.91671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09787e+02   -2.18542e+02    1.28476e+01    3.34457e-06

           Step           Time
      196070000   392140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18918e+03    2.39645e+04    1.63359e+04    1.43621e+03   -4.23927e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18720e+03    1.45638e+05    2.76631e+05   -1.78299e+04   -2.19555e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21532e+04   -1.72609e+06    3.50061e+05   -1.37603e+06    1.91683e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09969e+02   -2.18513e+02    2.66497e+01    3.42649e-06

           Step           Time
      196075000   392150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.70586e+03    2.37694e+04    1.61784e+04    1.35366e+03   -4.21430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09879e+03    1.45248e+05    2.74437e+05   -1.78620e+04   -2.19084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22148e+04   -1.72391e+06    3.50657e+05   -1.37325e+06    1.91689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10497e+02   -2.19299e+02    1.41635e+01    3.47322e-06

           Step           Time
      196080000   392160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22895e+03    2.38335e+04    1.62818e+04    1.39542e+03   -4.30934e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08948e+03    1.44869e+05    2.71182e+05   -1.78296e+04   -2.18839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21694e+04   -1.72548e+06    3.50607e+05   -1.37487e+06    1.91693e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10452e+02   -2.18504e+02   -1.43783e+02    3.55500e-06

Writing checkpoint, step 196081600 at Tue Jun 11 10:54:11 2024


           Step           Time
      196085000   392170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12744e+03    2.38387e+04    1.62504e+04    1.38987e+03   -4.29222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16005e+03    1.46232e+05    2.75746e+05   -1.78387e+04   -2.19695e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22294e+04   -1.72811e+06    3.50822e+05   -1.37729e+06    1.91705e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10643e+02   -2.18728e+02    6.04111e+01    3.57364e-06

           Step           Time
      196090000   392180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43473e+03    2.36477e+04    1.61070e+04    1.41453e+03   -4.24463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10002e+03    1.45815e+05    2.72546e+05   -1.78228e+04   -2.19163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21820e+04   -1.72645e+06    3.50323e+05   -1.37613e+06    1.91711e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10201e+02   -2.18337e+02   -9.55167e+01    3.48697e-06

           Step           Time
      196095000   392190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48238e+03    2.38512e+04    1.64410e+04    1.34515e+03   -4.35225e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11358e+03    1.45266e+05    2.73356e+05   -1.78282e+04   -2.18869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22606e+04   -1.72276e+06    3.50690e+05   -1.37207e+06    1.91725e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.18471e+02   -5.69523e+01    3.52551e-06

           Step           Time
      196100000   392200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33362e+03    2.37756e+04    1.64240e+04    1.34103e+03   -4.11377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15011e+03    1.45925e+05    2.74993e+05   -1.78071e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23066e+04   -1.72263e+06    3.48901e+05   -1.37373e+06    1.91731e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08942e+02   -2.17955e+02    4.77496e+01    3.36964e-06

           Step           Time
      196105000   392210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50647e+03    2.33715e+04    1.62435e+04    1.40086e+03   -4.37916e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22960e+03    1.45556e+05    2.73721e+05   -1.78524e+04   -2.19136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23577e+04   -1.72520e+06    3.48974e+05   -1.37623e+06    1.91737e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09007e+02   -2.19063e+02   -3.69487e+01    3.51362e-06

           Step           Time
      196110000   392220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47309e+03    2.35410e+04    1.64271e+04    1.35045e+03   -4.26328e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02636e+03    1.45419e+05    2.71222e+05   -1.78170e+04   -2.18769e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21647e+04   -1.72415e+06    3.50580e+05   -1.37357e+06    1.91738e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.18196e+02   -1.75257e+02    3.65525e-06

           Step           Time
      196115000   392230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38912e+03    2.38962e+04    1.63085e+04    1.36854e+03   -4.28202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02425e+03    1.45245e+05    2.72732e+05   -1.78160e+04   -2.18798e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20281e+04   -1.72309e+06    3.49356e+05   -1.37373e+06    1.91752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09345e+02   -2.18171e+02   -7.41875e+01    3.56181e-06

           Step           Time
      196120000   392240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67495e+03    2.38450e+04    1.65247e+04    1.40480e+03   -4.35660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09735e+03    1.44810e+05    2.73430e+05   -1.78582e+04   -2.19200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22007e+04   -1.72623e+06    3.49352e+05   -1.37688e+06    1.91763e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09342e+02   -2.19204e+02   -3.23670e+01    3.53213e-06

           Step           Time
      196125000   392250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30030e+03    2.36268e+04    1.61189e+04    1.31851e+03   -4.21840e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21662e+03    1.45565e+05    2.75090e+05   -1.78538e+04   -2.19266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22891e+04   -1.72521e+06    3.50664e+05   -1.37454e+06    1.91771e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10503e+02   -2.19097e+02    3.11284e+01    3.43476e-06

           Step           Time
      196130000   392260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55729e+03    2.36733e+04    1.64330e+04    1.36056e+03   -4.30054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03182e+03    1.45517e+05    2.73560e+05   -1.78921e+04   -2.19389e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21794e+04   -1.72777e+06    3.50774e+05   -1.37699e+06    1.91780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10601e+02   -2.20038e+02    4.49703e+00    3.32186e-06

           Step           Time
      196135000   392270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09692e+03    2.38486e+04    1.63745e+04    1.41813e+03   -4.20526e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17255e+03    1.45511e+05    2.73013e+05   -1.77772e+04   -2.18938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22026e+04   -1.72372e+06    3.49091e+05   -1.37463e+06    1.91788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09111e+02   -2.17225e+02    3.63446e+01    3.52399e-06

           Step           Time
      196140000   392280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.11836e+03    2.36470e+04    1.64409e+04    1.35637e+03   -4.29420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16385e+03    1.45961e+05    2.74198e+05   -1.78443e+04   -2.19044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21900e+04   -1.72351e+06    3.49314e+05   -1.37419e+06    1.91795e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09308e+02   -2.18866e+02    4.49973e+01    3.54622e-06

           Step           Time
      196145000   392290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25489e+03    2.33487e+04    1.62183e+04    1.41963e+03   -4.23593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07000e+03    1.45784e+05    2.75259e+05   -1.78362e+04   -2.19385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22999e+04   -1.72627e+06    3.51872e+05   -1.37440e+06    1.91801e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11573e+02   -2.18666e+02   -2.22760e+01    3.37310e-06

           Step           Time
      196150000   392300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18913e+03    2.39893e+04    1.63340e+04    1.37706e+03   -4.22902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09686e+03    1.45525e+05    2.71166e+05   -1.77863e+04   -2.18896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23289e+04   -1.72497e+06    3.51186e+05   -1.37378e+06    1.91808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10966e+02   -2.17447e+02   -1.76394e+02    3.57852e-06

           Step           Time
      196155000   392310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67664e+03    2.37650e+04    1.64952e+04    1.31795e+03   -4.21410e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09594e+03    1.45581e+05    2.75522e+05   -1.78342e+04   -2.19346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21644e+04   -1.72489e+06    3.52401e+05   -1.37249e+06    1.91819e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12041e+02   -2.18617e+02   -2.29373e+01    3.54498e-06

           Step           Time
      196160000   392320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25225e+03    2.36535e+04    1.61789e+04    1.33198e+03   -4.18658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14661e+03    1.46290e+05    2.74268e+05   -1.78375e+04   -2.19226e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22154e+04   -1.72494e+06    3.50547e+05   -1.37440e+06    1.91829e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10399e+02   -2.18697e+02    4.46436e+01    3.44582e-06

           Step           Time
      196165000   392330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34957e+03    2.34403e+04    1.63908e+04    1.38364e+03   -4.34288e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15810e+03    1.46079e+05    2.73736e+05   -1.77804e+04   -2.19029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.25988e+04   -1.72328e+06    3.47981e+05   -1.37530e+06    1.91835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08127e+02   -2.17303e+02   -5.41355e+01    3.51517e-06

           Step           Time
      196170000   392340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34388e+03    2.36420e+04    1.63121e+04    1.34653e+03   -4.33326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17202e+03    1.46271e+05    2.74985e+05   -1.78404e+04   -2.19363e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22983e+04   -1.72543e+06    3.49933e+05   -1.37550e+06    1.91850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09856e+02   -2.18770e+02    7.11146e+01    3.58255e-06

           Step           Time
      196175000   392350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24047e+03    2.38945e+04    1.63781e+04    1.39248e+03   -4.32810e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10101e+03    1.46060e+05    2.76650e+05   -1.78298e+04   -2.19589e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22666e+04   -1.72606e+06    3.51126e+05   -1.37494e+06    1.91853e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10912e+02   -2.18510e+02    1.45590e+02    3.53715e-06

           Step           Time
      196180000   392360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28682e+03    2.33354e+04    1.64800e+04    1.36944e+03   -4.23335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06851e+03    1.45629e+05    2.74012e+05   -1.78158e+04   -2.19237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23036e+04   -1.72593e+06    3.49362e+05   -1.37657e+06    1.91860e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09350e+02   -2.18168e+02   -2.61099e+01    3.63578e-06

           Step           Time
      196185000   392370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21789e+03    2.40262e+04    1.63681e+04    1.41079e+03   -4.31108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18617e+03    1.45737e+05    2.71201e+05   -1.78107e+04   -2.18858e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22585e+04   -1.72430e+06    3.50058e+05   -1.37424e+06    1.91872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09967e+02   -2.18042e+02   -1.29860e+02    3.67173e-06

           Step           Time
      196190000   392380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23219e+03    2.36192e+04    1.65309e+04    1.39505e+03   -4.18823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23252e+03    1.45750e+05    2.75618e+05   -1.78092e+04   -2.19387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22769e+04   -1.72521e+06    3.50119e+05   -1.37509e+06    1.91880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10021e+02   -2.18007e+02    7.06425e+01    3.53720e-06

           Step           Time
      196195000   392390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20790e+03    2.32360e+04    1.65081e+04    1.33609e+03   -4.13339e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20366e+03    1.45820e+05    2.75622e+05   -1.77946e+04   -2.19227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23112e+04   -1.72396e+06    3.48267e+05   -1.37569e+06    1.91887e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08381e+02   -2.17649e+02   -1.26334e+01    3.53831e-06

           Step           Time
      196200000   392400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29858e+03    2.37635e+04    1.62114e+04    1.34944e+03   -4.27435e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09136e+03    1.45319e+05    2.75473e+05   -1.78002e+04   -2.19239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22982e+04   -1.72466e+06    3.50092e+05   -1.37457e+06    1.91897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09997e+02   -2.17785e+02   -2.07506e+01    3.44733e-06

           Step           Time
      196205000   392410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12935e+03    2.39623e+04    1.64903e+04    1.33451e+03   -4.23864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09214e+03    1.46271e+05    2.72679e+05   -1.78578e+04   -2.19003e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21753e+04   -1.72399e+06    3.49212e+05   -1.37478e+06    1.91911e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09218e+02   -2.19195e+02    3.79958e+01    3.70145e-06

           Step           Time
      196210000   392420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32702e+03    2.34713e+04    1.64150e+04    1.44379e+03   -4.26474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22441e+03    1.45942e+05    2.74661e+05   -1.78391e+04   -2.19264e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23636e+04   -1.72490e+06    3.51298e+05   -1.37360e+06    1.91916e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11065e+02   -2.18736e+02    1.00602e+02    3.49337e-06

           Step           Time
      196215000   392430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43069e+03    2.35421e+04    1.64712e+04    1.43210e+03   -4.28104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00328e+03    1.46754e+05    2.74241e+05   -1.78158e+04   -2.19131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21615e+04   -1.72337e+06    3.50734e+05   -1.37263e+06    1.91921e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10565e+02   -2.18167e+02   -3.98594e+01    3.55085e-06

           Step           Time
      196220000   392440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26114e+03    2.36413e+04    1.62975e+04    1.31448e+03   -4.20251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12672e+03    1.46081e+05    2.74003e+05   -1.78401e+04   -2.19097e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22655e+04   -1.72403e+06    3.48027e+05   -1.37600e+06    1.91933e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08168e+02   -2.18761e+02   -4.75355e-01    3.41966e-06

           Step           Time
      196225000   392450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53254e+03    2.35909e+04    1.61444e+04    1.41066e+03   -4.17110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05909e+03    1.45894e+05    2.75620e+05   -1.78737e+04   -2.19208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22033e+04   -1.72367e+06    3.51865e+05   -1.37180e+06    1.91943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11566e+02   -2.19586e+02    1.00026e+02    3.66808e-06

           Step           Time
      196230000   392460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45775e+03    2.39656e+04    1.63407e+04    1.35633e+03   -4.27961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22788e+03    1.45987e+05    2.75521e+05   -1.78763e+04   -2.19299e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22804e+04   -1.72401e+06    3.50909e+05   -1.37310e+06    1.91955e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10720e+02   -2.19648e+02    1.43076e+02    3.55371e-06

           Step           Time
      196235000   392470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22211e+03    2.39107e+04    1.62768e+04    1.39908e+03   -4.35394e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14530e+03    1.46460e+05    2.73183e+05   -1.78814e+04   -2.19284e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23692e+04   -1.72611e+06    3.49673e+05   -1.37643e+06    1.91962e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09626e+02   -2.19775e+02    7.36789e+01    3.36522e-06

           Step           Time
      196240000   392480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43257e+03    2.38695e+04    1.64189e+04    1.46211e+03   -4.36794e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12918e+03    1.45960e+05    2.72508e+05   -1.78338e+04   -2.19017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23438e+04   -1.72425e+06    3.48887e+05   -1.37536e+06    1.91967e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08929e+02   -2.18608e+02   -1.06479e+02    3.46296e-06

           Step           Time
      196245000   392490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28093e+03    2.32165e+04    1.63805e+04    1.35855e+03   -4.10614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96929e+03    1.46173e+05    2.73053e+05   -1.78553e+04   -2.19360e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21821e+04   -1.72795e+06    3.50316e+05   -1.37763e+06    1.91969e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10195e+02   -2.19135e+02   -6.07228e+01    3.41182e-06

           Step           Time
      196250000   392500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41888e+03    2.33268e+04    1.65206e+04    1.38331e+03   -4.18560e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11854e+03    1.46073e+05    2.73640e+05   -1.78164e+04   -2.19149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23050e+04   -1.72470e+06    3.49820e+05   -1.37488e+06    1.91978e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09756e+02   -2.18182e+02    2.78652e+01    3.55769e-06

           Step           Time
      196255000   392510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13312e+03    2.37820e+04    1.61131e+04    1.42289e+03   -4.14942e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13293e+03    1.45754e+05    2.72492e+05   -1.78348e+04   -2.19185e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20151e+04   -1.72698e+06    3.50558e+05   -1.37643e+06    1.91988e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10409e+02   -2.18631e+02   -2.58359e+01    3.57413e-06

           Step           Time
      196260000   392520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56042e+03    2.40108e+04    1.65622e+04    1.38895e+03   -4.33627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09235e+03    1.46029e+05    2.73940e+05   -1.77997e+04   -2.18781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23765e+04   -1.71999e+06    3.51600e+05   -1.36839e+06    1.92000e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11332e+02   -2.17773e+02    6.21387e+01    3.56197e-06

           Step           Time
      196265000   392530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56875e+03    2.34670e+04    1.63170e+04    1.42413e+03   -4.28767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15448e+03    1.46136e+05    2.76257e+05   -1.78093e+04   -2.19266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22320e+04   -1.72320e+06    3.49704e+05   -1.37350e+06    1.92005e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09654e+02   -2.18007e+02    6.43523e+01    3.65184e-06

           Step           Time
      196270000   392540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37610e+03    2.40440e+04    1.64721e+04    1.35943e+03   -4.35366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08432e+03    1.45203e+05    2.73727e+05   -1.78329e+04   -2.18933e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24157e+04   -1.72284e+06    3.51146e+05   -1.37169e+06    1.92016e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10930e+02   -2.18586e+02   -8.95033e+00    3.53210e-06

           Step           Time
      196275000   392550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40863e+03    2.36803e+04    1.61236e+04    1.31363e+03   -4.20455e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04992e+03    1.45441e+05    2.73811e+05   -1.78079e+04   -2.19147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19855e+04   -1.72567e+06    3.50102e+05   -1.37556e+06    1.92021e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10006e+02   -2.17973e+02   -2.60519e+01    3.52056e-06

           Step           Time
      196280000   392560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54348e+03    2.36681e+04    1.62115e+04    1.35413e+03   -4.26294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22885e+03    1.45675e+05    2.74529e+05   -1.78011e+04   -2.18919e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22058e+04   -1.72184e+06    3.49632e+05   -1.37221e+06    1.92027e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09590e+02   -2.17808e+02   -5.50061e-01    3.41647e-06

           Step           Time
      196285000   392570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21302e+03    2.37501e+04    1.63238e+04    1.33447e+03   -4.22400e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06784e+03    1.45750e+05    2.74756e+05   -1.78650e+04   -2.19417e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22999e+04   -1.72677e+06    3.50950e+05   -1.37582e+06    1.92032e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10756e+02   -2.19371e+02    1.85564e+01    3.47549e-06

           Step           Time
      196290000   392580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41957e+03    2.36432e+04    1.63737e+04    1.42670e+03   -4.17910e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05958e+03    1.46208e+05    2.73827e+05   -1.78146e+04   -2.19462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21755e+04   -1.72748e+06    3.50340e+05   -1.37714e+06    1.92039e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10217e+02   -2.18137e+02   -4.99818e+01    3.50272e-06

           Step           Time
      196295000   392590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30016e+03    2.32225e+04    1.64131e+04    1.44385e+03   -4.18666e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20115e+03    1.46411e+05    2.75267e+05   -1.78510e+04   -2.19415e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21791e+04   -1.72575e+06    3.49356e+05   -1.37639e+06    1.92050e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09345e+02   -2.19028e+02    1.74276e+01    3.63432e-06

           Step           Time
      196300000   392600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47249e+03    2.38800e+04    1.64368e+04    1.39154e+03   -4.27083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18161e+03    1.45911e+05    2.74900e+05   -1.78271e+04   -2.19381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20400e+04   -1.72570e+06    3.49192e+05   -1.37650e+06    1.92062e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09200e+02   -2.18442e+02    2.65282e+01    3.43684e-06

           Step           Time
      196305000   392610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28521e+03    2.41485e+04    1.61575e+04    1.49574e+03   -4.12332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15989e+03    1.46347e+05    2.72430e+05   -1.77749e+04   -2.18763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21918e+04   -1.72131e+06    3.53178e+05   -1.36813e+06    1.92063e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12729e+02   -2.17167e+02   -1.08997e+01    3.54200e-06

           Step           Time
      196310000   392620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31181e+03    2.34608e+04    1.64103e+04    1.46095e+03   -4.15577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08075e+03    1.45885e+05    2.73382e+05   -1.77975e+04   -2.19201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22387e+04   -1.72573e+06    3.51165e+05   -1.37457e+06    1.92069e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.17721e+02   -1.09241e+02    3.63264e-06

           Step           Time
      196315000   392630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33906e+03    2.32969e+04    1.62797e+04    1.35861e+03   -4.31440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15064e+03    1.46051e+05    2.76283e+05   -1.78176e+04   -2.19467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21374e+04   -1.72590e+06    3.49606e+05   -1.37630e+06    1.92078e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09566e+02   -2.18211e+02    9.71046e+01    3.49690e-06

           Step           Time
      196320000   392640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.66053e+03    2.36415e+04    1.64237e+04    1.44257e+03   -4.32317e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00922e+03    1.45512e+05    2.76218e+05   -1.78113e+04   -2.19354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20948e+04   -1.72468e+06    3.49092e+05   -1.37558e+06    1.92088e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09112e+02   -2.18056e+02    4.86660e+01    3.46579e-06

           Step           Time
      196325000   392650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53703e+03    2.32502e+04    1.63691e+04    1.44396e+03   -4.34287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14036e+03    1.45423e+05    2.73720e+05   -1.78322e+04   -2.19051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21927e+04   -1.72461e+06    3.50771e+05   -1.37384e+06    1.92094e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10598e+02   -2.18567e+02   -4.99765e+01    3.61094e-06

           Step           Time
      196330000   392660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23384e+03    2.39431e+04    1.63275e+04    1.43877e+03   -4.28635e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07528e+03    1.45486e+05    2.71136e+05   -1.77784e+04   -2.18823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21904e+04   -1.72446e+06    3.50332e+05   -1.37413e+06    1.92104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10209e+02   -2.17252e+02   -1.26517e+02    3.52877e-06

           Step           Time
      196335000   392670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46972e+03    2.38349e+04    1.61478e+04    1.36700e+03   -4.29329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09948e+03    1.45567e+05    2.75175e+05   -1.78188e+04   -2.19351e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23056e+04   -1.72565e+06    3.49652e+05   -1.37600e+06    1.92116e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09607e+02   -2.18240e+02    3.15076e+01    3.88918e-06

           Step           Time
      196340000   392680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44542e+03    2.38720e+04    1.64013e+04    1.36246e+03   -4.16954e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26308e+03    1.45511e+05    2.73920e+05   -1.78595e+04   -2.18961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21881e+04   -1.72268e+06    3.52112e+05   -1.37056e+06    1.92121e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11785e+02   -2.19237e+02    1.16868e+02    3.48442e-06

           Step           Time
      196345000   392690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16170e+03    2.37030e+04    1.63307e+04    1.44123e+03   -4.19792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14343e+03    1.46329e+05    2.75368e+05   -1.78155e+04   -2.19381e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22119e+04   -1.72513e+06    3.50114e+05   -1.37502e+06    1.92129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10016e+02   -2.18159e+02    2.15023e+01    3.61427e-06

           Step           Time
      196350000   392700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33944e+03    2.40731e+04    1.64337e+04    1.38184e+03   -4.30213e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02544e+03    1.45345e+05    2.74178e+05   -1.78161e+04   -2.18915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21115e+04   -1.72238e+06    3.50517e+05   -1.37187e+06    1.92136e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10373e+02   -2.18175e+02   -8.46044e+00    3.56656e-06

           Step           Time
      196355000   392710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09451e+03    2.31795e+04    1.63504e+04    1.40161e+03   -4.18618e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17906e+03    1.45688e+05    2.76088e+05   -1.78690e+04   -2.19514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20575e+04   -1.72715e+06    3.50660e+05   -1.37649e+06    1.92143e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10500e+02   -2.19469e+02    1.58703e+02    3.54185e-06

           Step           Time
      196360000   392720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25290e+03    2.37512e+04    1.64292e+04    1.50290e+03   -4.17043e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30550e+03    1.45920e+05    2.75787e+05   -1.78215e+04   -2.19168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21599e+04   -1.72256e+06    3.50965e+05   -1.37160e+06    1.92153e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10770e+02   -2.18307e+02    1.65237e+02    3.57843e-06

           Step           Time
      196365000   392730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17909e+03    2.37305e+04    1.61375e+04    1.37839e+03   -4.33748e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09834e+03    1.46133e+05    2.77070e+05   -1.78335e+04   -2.19839e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22097e+04   -1.72862e+06    3.49743e+05   -1.37888e+06    1.92158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09688e+02   -2.18601e+02    1.01222e+02    3.73615e-06

           Step           Time
      196370000   392740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23921e+03    2.35199e+04    1.62856e+04    1.37597e+03   -4.19875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16348e+03    1.45778e+05    2.74871e+05   -1.78551e+04   -2.19503e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22196e+04   -1.72763e+06    3.50239e+05   -1.37739e+06    1.92169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10127e+02   -2.19128e+02    7.59670e+01    3.50950e-06

           Step           Time
      196375000   392750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22354e+03    2.37123e+04    1.63874e+04    1.35634e+03   -4.23951e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26462e+03    1.45986e+05    2.74374e+05   -1.78567e+04   -2.19178e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22101e+04   -1.72436e+06    3.50650e+05   -1.37371e+06    1.92175e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.19169e+02    9.13420e+01    3.59276e-06

           Step           Time
      196380000   392760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27993e+03    2.37250e+04    1.62238e+04    1.37574e+03   -4.25161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24089e+03    1.45686e+05    2.75690e+05   -1.78269e+04   -2.19462e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20993e+04   -1.72637e+06    3.48889e+05   -1.37748e+06    1.92186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08932e+02   -2.18438e+02    2.19720e+01    3.58219e-06

           Step           Time
      196385000   392770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30185e+03    2.35057e+04    1.62327e+04    1.35273e+03   -4.37784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30533e+03    1.46219e+05    2.76139e+05   -1.78311e+04   -2.19396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22545e+04   -1.72486e+06    3.51096e+05   -1.37376e+06    1.92195e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.18541e+02    1.35988e+02    3.43251e-06

           Step           Time
      196390000   392780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36132e+03    2.40809e+04    1.60882e+04    1.38479e+03   -4.30655e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10323e+03    1.45059e+05    2.76197e+05   -1.78130e+04   -2.19387e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23881e+04   -1.72532e+06    3.49881e+05   -1.37544e+06    1.92203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09810e+02   -2.18098e+02    5.58276e+01    3.38405e-06

           Step           Time
      196395000   392790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48582e+03    2.39098e+04    1.65127e+04    1.38296e+03   -4.31833e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18467e+03    1.45225e+05    2.75097e+05   -1.78396e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22912e+04   -1.72336e+06    3.50072e+05   -1.37329e+06    1.92211e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09979e+02   -2.18749e+02    5.74253e+01    3.59893e-06

           Step           Time
      196400000   392800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15438e+03    2.36330e+04    1.64273e+04    1.30986e+03   -4.28494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13634e+03    1.45667e+05    2.73998e+05   -1.78547e+04   -2.19231e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22633e+04   -1.72586e+06    3.47796e+05   -1.37807e+06    1.92219e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07964e+02   -2.19120e+02   -1.93080e+01    3.43157e-06

           Step           Time
      196405000   392810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36933e+03    2.36341e+04    1.63812e+04    1.48261e+03   -4.25909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22559e+03    1.45650e+05    2.73758e+05   -1.78055e+04   -2.18914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22347e+04   -1.72247e+06    3.51619e+05   -1.37085e+06    1.92227e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11349e+02   -2.17914e+02   -2.44846e+01    3.57061e-06

           Step           Time
      196410000   392820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39976e+03    2.36522e+04    1.62622e+04    1.44309e+03   -4.23961e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19569e+03    1.45815e+05    2.74677e+05   -1.78591e+04   -2.19080e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22861e+04   -1.72317e+06    3.51293e+05   -1.37187e+06    1.92233e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11060e+02   -2.19228e+02    9.78619e+01    3.68253e-06

           Step           Time
      196415000   392830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28113e+03    2.35186e+04    1.62029e+04    1.45806e+03   -4.18600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17695e+03    1.45468e+05    2.73862e+05   -1.78979e+04   -2.19148e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21788e+04   -1.72542e+06    3.50903e+05   -1.37452e+06    1.92244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10715e+02   -2.20179e+02    5.17399e+01    3.50084e-06

           Step           Time
      196420000   392840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37505e+03    2.39836e+04    1.62927e+04    1.41198e+03   -4.11375e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08530e+03    1.45243e+05    2.72709e+05   -1.78383e+04   -2.18935e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22280e+04   -1.72398e+06    3.50539e+05   -1.37344e+06    1.92254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10392e+02   -2.18718e+02    3.40290e+01    3.65721e-06

           Step           Time
      196425000   392850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57334e+03    2.36550e+04    1.62384e+04    1.32515e+03   -4.24986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11346e+03    1.45472e+05    2.74937e+05   -1.78711e+04   -2.19432e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21197e+04   -1.72701e+06    3.50989e+05   -1.37602e+06    1.92263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10791e+02   -2.19522e+02    1.62076e+01    3.55588e-06

           Step           Time
      196430000   392860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52705e+03    2.31569e+04    1.64362e+04    1.33804e+03   -4.06594e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15844e+03    1.45613e+05    2.75739e+05   -1.78427e+04   -2.19614e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19754e+04   -1.72810e+06    3.49912e+05   -1.37819e+06    1.92270e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09837e+02   -2.18825e+02    5.11755e+01    3.47014e-06

           Step           Time
      196435000   392870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09559e+03    2.37494e+04    1.63288e+04    1.39099e+03   -4.27258e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10146e+03    1.45393e+05    2.73234e+05   -1.78356e+04   -2.19052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23492e+04   -1.72499e+06    3.49971e+05   -1.37502e+06    1.92273e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09890e+02   -2.18651e+02   -4.84109e+01    3.63451e-06

           Step           Time
      196440000   392880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26384e+03    2.40361e+04    1.62596e+04    1.39691e+03   -4.30365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99044e+03    1.45237e+05    2.75298e+05   -1.78338e+04   -2.19359e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22014e+04   -1.72604e+06    3.49326e+05   -1.37671e+06    1.92287e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09318e+02   -2.18608e+02   -1.81209e+01    3.47869e-06

           Step           Time
      196445000   392890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42258e+03    2.34127e+04    1.63446e+04    1.38767e+03   -4.15273e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15686e+03    1.45373e+05    2.76470e+05   -1.78192e+04   -2.19513e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21064e+04   -1.72643e+06    3.49716e+05   -1.37672e+06    1.92294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09664e+02   -2.18250e+02    4.33530e+01    3.60299e-06

           Step           Time
      196450000   392900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20669e+03    2.32082e+04    1.63330e+04    1.44877e+03   -4.23277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15166e+03    1.45817e+05    2.75033e+05   -1.78281e+04   -2.19491e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22603e+04   -1.72751e+06    3.48962e+05   -1.37855e+06    1.92302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08996e+02   -2.18467e+02    1.51868e+01    3.42300e-06

           Step           Time
      196455000   392910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54794e+03    2.36671e+04    1.63069e+04    1.37924e+03   -4.26542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16054e+03    1.45485e+05    2.74933e+05   -1.77683e+04   -2.19278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20748e+04   -1.72526e+06    3.51120e+05   -1.37414e+06    1.92309e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10907e+02   -2.17007e+02   -5.65190e+01    3.46648e-06

           Step           Time
      196460000   392920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54204e+03    2.40706e+04    1.63956e+04    1.47580e+03   -4.22658e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21711e+03    1.45569e+05    2.75785e+05   -1.78228e+04   -2.19200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22605e+04   -1.72273e+06    3.49949e+05   -1.37278e+06    1.92324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09870e+02   -2.18338e+02    6.63403e+01    3.45845e-06

           Step           Time
      196465000   392930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43682e+03    2.36081e+04    1.63058e+04    1.39005e+03   -4.10611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08279e+03    1.45526e+05    2.74898e+05   -1.77971e+04   -2.19521e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22467e+04   -1.72762e+06    3.50207e+05   -1.37741e+06    1.92327e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10099e+02   -2.17709e+02   -2.76766e+01    3.54353e-06

           Step           Time
      196470000   392940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57039e+03    2.36370e+04    1.63354e+04    1.34701e+03   -4.17693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.32707e+03    1.45587e+05    2.72733e+05   -1.77937e+04   -2.18902e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22165e+04   -1.72324e+06    3.50017e+05   -1.37322e+06    1.92342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09930e+02   -2.17626e+02   -1.65037e+01    3.50791e-06

           Step           Time
      196475000   392950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24816e+03    2.39075e+04    1.63265e+04    1.41302e+03   -4.38804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24543e+03    1.45430e+05    2.73701e+05   -1.78227e+04   -2.18950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22413e+04   -1.72320e+06    3.51449e+05   -1.37175e+06    1.92344e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11198e+02   -2.18335e+02    2.28143e+01    3.52864e-06

           Step           Time
      196480000   392960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23105e+03    2.39043e+04    1.61239e+04    1.43292e+03   -4.22316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21192e+03    1.45066e+05    2.74009e+05   -1.78141e+04   -2.19029e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21488e+04   -1.72420e+06    3.51792e+05   -1.37241e+06    1.92351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11502e+02   -2.18125e+02    2.69830e+01    3.43855e-06

           Step           Time
      196485000   392970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21798e+03    2.38260e+04    1.63440e+04    1.28287e+03   -4.42381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19831e+03    1.45417e+05    2.71987e+05   -1.78211e+04   -2.18870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23208e+04   -1.72435e+06    3.48905e+05   -1.37545e+06    1.92363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08945e+02   -2.18296e+02   -4.15902e+01    3.54556e-06

           Step           Time
      196490000   392980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50411e+03    2.39631e+04    1.62475e+04    1.47127e+03   -4.26333e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12342e+03    1.45108e+05    2.71324e+05   -1.78345e+04   -2.18741e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21401e+04   -1.72363e+06    3.52227e+05   -1.37140e+06    1.92374e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11887e+02   -2.18625e+02   -9.75407e+01    3.64777e-06

           Step           Time
      196495000   392990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13251e+03    2.34307e+04    1.65013e+04    1.42453e+03   -4.12726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20651e+03    1.45524e+05    2.71881e+05   -1.78061e+04   -2.18733e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21350e+04   -1.72303e+06    3.51554e+05   -1.37147e+06    1.92373e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11292e+02   -2.17930e+02   -1.24047e+02    3.56832e-06

           Step           Time
      196500000   393000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39915e+03    2.33883e+04    1.62222e+04    1.34626e+03   -4.05880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15813e+03    1.45302e+05    2.73747e+05   -1.78328e+04   -2.19020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22723e+04   -1.72426e+06    3.48077e+05   -1.37618e+06    1.92388e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08213e+02   -2.18584e+02   -5.72957e+01    3.47418e-06

           Step           Time
      196505000   393010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36887e+03    2.40250e+04    1.63185e+04    1.41224e+03   -4.27379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23739e+03    1.45458e+05    2.72532e+05   -1.78283e+04   -2.18888e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21080e+04   -1.72352e+06    3.49571e+05   -1.37395e+06    1.92400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09536e+02   -2.18474e+02    1.46618e+00    3.45596e-06

           Step           Time
      196510000   393020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28562e+03    2.31160e+04    1.61555e+04    1.37077e+03   -4.17111e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27366e+03    1.45534e+05    2.72358e+05   -1.78616e+04   -2.19108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23126e+04   -1.72670e+06    3.50617e+05   -1.37609e+06    1.92399e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10462e+02   -2.19290e+02    1.58576e+01    3.55747e-06

           Step           Time
      196515000   393030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20555e+03    2.35907e+04    1.63264e+04    1.50799e+03   -4.04998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15658e+03    1.45296e+05    2.70977e+05   -1.78335e+04   -2.18681e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21677e+04   -1.72347e+06    3.48990e+05   -1.37448e+06    1.92410e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09021e+02   -2.18600e+02   -8.11537e+01    3.62241e-06

           Step           Time
      196520000   393040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48224e+03    2.38676e+04    1.63365e+04    1.39346e+03   -4.22837e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23961e+03    1.45272e+05    2.71371e+05   -1.78386e+04   -2.18853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21946e+04   -1.72444e+06    3.49316e+05   -1.37513e+06    1.92418e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09309e+02   -2.18725e+02   -1.06794e+02    3.46770e-06

           Step           Time
      196525000   393050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47069e+03    2.36635e+04    1.65120e+04    1.43110e+03   -4.33574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23353e+03    1.45166e+05    2.72406e+05   -1.78476e+04   -2.18826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22089e+04   -1.72335e+06    3.49734e+05   -1.37362e+06    1.92422e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09680e+02   -2.18945e+02   -4.62088e+01    3.59967e-06

           Step           Time
      196530000   393060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31967e+03    2.34151e+04    1.65072e+04    1.37105e+03   -4.25647e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10313e+03    1.45198e+05    2.73040e+05   -1.78434e+04   -2.18917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20008e+04   -1.72432e+06    3.50297e+05   -1.37402e+06    1.92428e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10178e+02   -2.18843e+02   -2.08229e+01    3.51890e-06

           Step           Time
      196535000   393070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44031e+03    2.35632e+04    1.60774e+04    1.38882e+03   -4.21700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22428e+03    1.45448e+05    2.74637e+05   -1.78410e+04   -2.19267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21447e+04   -1.72581e+06    3.51066e+05   -1.37474e+06    1.92439e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10859e+02   -2.18784e+02   -3.08038e+01    3.54796e-06

           Step           Time
      196540000   393080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35005e+03    2.37984e+04    1.64102e+04    1.46108e+03   -4.37918e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17332e+03    1.45610e+05    2.75063e+05   -1.77942e+04   -2.19300e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21598e+04   -1.72514e+06    3.51097e+05   -1.37405e+06    1.92447e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.17640e+02   -2.92699e+01    3.62189e-06

           Step           Time
      196545000   393090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51228e+03    2.38477e+04    1.61891e+04    1.37677e+03   -4.21427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13958e+03    1.45884e+05    2.75860e+05   -1.78081e+04   -2.19510e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21743e+04   -1.72614e+06    3.50982e+05   -1.37516e+06    1.92456e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10785e+02   -2.17979e+02   -3.25834e+01    3.78373e-06

           Step           Time
      196550000   393100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.65121e+03    2.36295e+04    1.64419e+04    1.47168e+03   -4.27802e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.32877e+03    1.45578e+05    2.73050e+05   -1.78143e+04   -2.18770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23598e+04   -1.72128e+06    3.51068e+05   -1.37022e+06    1.92467e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10861e+02   -2.18131e+02   -5.59055e+00    3.51575e-06

           Step           Time
      196555000   393110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23206e+03    2.37876e+04    1.62105e+04    1.30474e+03   -4.37108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16552e+03    1.45532e+05    2.75858e+05   -1.78557e+04   -2.19578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22185e+04   -1.72770e+06    3.48798e+05   -1.37890e+06    1.92476e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08851e+02   -2.19143e+02    6.54442e+01    3.47213e-06

           Step           Time
      196560000   393120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47185e+03    2.37640e+04    1.63685e+04    1.38107e+03   -4.18309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01068e+03    1.44903e+05    2.71931e+05   -1.78614e+04   -2.18762e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24115e+04   -1.72342e+06    3.51321e+05   -1.37210e+06    1.92481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11085e+02   -2.19283e+02   -2.13953e+01    3.55735e-06

           Step           Time
      196565000   393130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23232e+03    2.38648e+04    1.62809e+04    1.44982e+03   -4.25529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22808e+03    1.45271e+05    2.73592e+05   -1.78027e+04   -2.19100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22480e+04   -1.72489e+06    3.52467e+05   -1.37242e+06    1.92488e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12100e+02   -2.17847e+02   -1.02197e+01    3.49948e-06

           Step           Time
      196570000   393140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67037e+03    2.35006e+04    1.62513e+04    1.28467e+03   -4.27329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16984e+03    1.45801e+05    2.73092e+05   -1.78397e+04   -2.18880e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22377e+04   -1.72290e+06    3.51353e+05   -1.37155e+06    1.92494e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11113e+02   -2.18751e+02   -5.56079e+00    3.62762e-06

           Step           Time
      196575000   393150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32794e+03    2.35756e+04    1.62836e+04    1.38701e+03   -4.20741e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16525e+03    1.45576e+05    2.75277e+05   -1.78308e+04   -2.19424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21983e+04   -1.72648e+06    3.48768e+05   -1.37772e+06    1.92505e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08824e+02   -2.18534e+02    7.41172e+00    3.43872e-06

           Step           Time
      196580000   393160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22164e+03    2.33748e+04    1.63299e+04    1.40452e+03   -4.21384e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09324e+03    1.45906e+05    2.73759e+05   -1.78158e+04   -2.19052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20852e+04   -1.72438e+06    3.49681e+05   -1.37469e+06    1.92507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09633e+02   -2.18166e+02    9.02667e+01    3.57761e-06

           Step           Time
      196585000   393170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.70719e+03    2.40019e+04    1.62733e+04    1.37231e+03   -4.29408e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21373e+03    1.45612e+05    2.73608e+05   -1.78348e+04   -2.18740e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21331e+04   -1.72061e+06    3.52244e+05   -1.36836e+06    1.92523e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11903e+02   -2.18632e+02    1.93025e+01    3.60895e-06

           Step           Time
      196590000   393180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17880e+03    2.34413e+04    1.63243e+04    1.40774e+03   -4.23625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10908e+03    1.45257e+05    2.73451e+05   -1.78304e+04   -2.19163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23865e+04   -1.72614e+06    3.48834e+05   -1.37731e+06    1.92526e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08883e+02   -2.18523e+02   -4.77850e+00    3.48939e-06

           Step           Time
      196595000   393190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33460e+03    2.36498e+04    1.62795e+04    1.43909e+03   -4.14574e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16789e+03    1.45905e+05    2.74228e+05   -1.77782e+04   -2.19151e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22426e+04   -1.72418e+06    3.50650e+05   -1.37353e+06    1.92539e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10491e+02   -2.17247e+02   -6.01873e+01    3.73230e-06

           Step           Time
      196600000   393200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50224e+03    2.36962e+04    1.61612e+04    1.42757e+03   -4.20003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15227e+03    1.45467e+05    2.74336e+05   -1.78422e+04   -2.19073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22569e+04   -1.72377e+06    3.51683e+05   -1.37209e+06    1.92542e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11405e+02   -2.18814e+02    5.48961e+01    3.54532e-06

           Step           Time
      196605000   393210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43658e+03    2.38920e+04    1.62476e+04    1.22666e+03   -4.33546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98991e+03    1.45129e+05    2.73454e+05   -1.77852e+04   -2.19023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22194e+04   -1.72476e+06    3.50314e+05   -1.37445e+06    1.92553e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10194e+02   -2.17419e+02   -1.01792e+02    3.57752e-06

           Step           Time
      196610000   393220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56311e+03    2.38018e+04    1.63256e+04    1.42011e+03   -4.17715e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11890e+03    1.44979e+05    2.71354e+05   -1.77997e+04   -2.18812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23051e+04   -1.72423e+06    3.51420e+05   -1.37281e+06    1.92559e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11172e+02   -2.17774e+02   -1.56988e+02    3.58129e-06

           Step           Time
      196615000   393230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52812e+03    2.38260e+04    1.62452e+04    1.39365e+03   -4.19693e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.97931e+03    1.45624e+05    2.76494e+05   -1.78014e+04   -2.19247e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22847e+04   -1.72309e+06    3.49714e+05   -1.37337e+06    1.92569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09662e+02   -2.17815e+02    1.34138e+02    3.49229e-06

           Step           Time
      196620000   393240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49686e+03    2.37117e+04    1.63413e+04    1.45054e+03   -4.35017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19639e+03    1.45417e+05    2.73048e+05   -1.77875e+04   -2.18667e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23085e+04   -1.72084e+06    3.47061e+05   -1.37378e+06    1.92585e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07313e+02   -2.17475e+02    8.10793e+00    3.50556e-06

           Step           Time
      196625000   393250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57025e+03    2.36510e+04    1.63321e+04    1.39826e+03   -4.35448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15824e+03    1.45426e+05    2.73728e+05   -1.77873e+04   -2.19061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21716e+04   -1.72432e+06    3.51521e+05   -1.37280e+06    1.92587e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11262e+02   -2.17470e+02    1.21973e+01    3.56052e-06

           Step           Time
      196630000   393260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23285e+03    2.38305e+04    1.63599e+04    1.48209e+03   -4.22191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08662e+03    1.45166e+05    2.75055e+05   -1.78630e+04   -2.19114e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22352e+04   -1.72378e+06    3.51367e+05   -1.37241e+06    1.92594e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11126e+02   -2.19323e+02    8.47510e+01    3.45865e-06

           Step           Time
      196635000   393270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50822e+03    2.36198e+04    1.62495e+04    1.33412e+03   -4.30650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24314e+03    1.45625e+05    2.72027e+05   -1.78323e+04   -2.18800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22017e+04   -1.72333e+06    3.51094e+05   -1.37224e+06    1.92601e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10884e+02   -2.18571e+02   -1.07383e+02    3.54884e-06

           Step           Time
      196640000   393280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38464e+03    2.37692e+04    1.62224e+04    1.35877e+03   -4.18019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19194e+03    1.45625e+05    2.75835e+05   -1.78384e+04   -2.19276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22345e+04   -1.72415e+06    3.50208e+05   -1.37395e+06    1.92609e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10099e+02   -2.18720e+02    5.31240e+01    3.57950e-06

           Step           Time
      196645000   393290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29375e+03    2.36630e+04    1.62283e+04    1.44578e+03   -4.24691e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24844e+03    1.45759e+05    2.75106e+05   -1.78328e+04   -2.19314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22538e+04   -1.72522e+06    3.51154e+05   -1.37406e+06    1.92618e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10937e+02   -2.18582e+02    2.56230e+00    3.58390e-06

           Step           Time
      196650000   393300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.64083e+03    2.36926e+04    1.63884e+04    1.39678e+03   -4.22120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10111e+03    1.45277e+05    2.73739e+05   -1.78098e+04   -2.19165e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21743e+04   -1.72527e+06    3.51774e+05   -1.37350e+06    1.92622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11486e+02   -2.18021e+02    9.06172e+00    3.49983e-06

           Step           Time
      196655000   393310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37925e+03    2.34126e+04    1.63276e+04    1.40301e+03   -4.18884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07280e+03    1.45356e+05    2.74294e+05   -1.78514e+04   -2.19149e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22101e+04   -1.72507e+06    3.48577e+05   -1.37650e+06    1.92633e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08655e+02   -2.19039e+02   -3.46974e+01    3.63528e-06

           Step           Time
      196660000   393320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31671e+03    2.40421e+04    1.63488e+04    1.40191e+03   -4.33127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12103e+03    1.45179e+05    2.74436e+05   -1.78124e+04   -2.19223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22990e+04   -1.72523e+06    3.51596e+05   -1.37364e+06    1.92639e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.18085e+02    4.21259e+01    3.60752e-06

           Step           Time
      196665000   393330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44454e+03    2.36381e+04    1.64065e+04    1.39809e+03   -4.39090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11259e+03    1.45198e+05    2.71794e+05   -1.77874e+04   -2.18852e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23276e+04   -1.72438e+06    3.48552e+05   -1.37583e+06    1.92650e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08633e+02   -2.17473e+02   -1.68578e+02    3.55120e-06

           Step           Time
      196670000   393340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53317e+03    2.36697e+04    1.62950e+04    1.39445e+03   -4.33660e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10363e+03    1.45399e+05    2.73335e+05   -1.78325e+04   -2.18998e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22102e+04   -1.72421e+06    3.50769e+05   -1.37344e+06    1.92659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10596e+02   -2.18576e+02   -4.66577e+00    3.51910e-06

           Step           Time
      196675000   393350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48447e+03    2.36049e+04    1.62869e+04    1.35322e+03   -4.30200e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16572e+03    1.45635e+05    2.71985e+05   -1.78450e+04   -2.18955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20779e+04   -1.72510e+06    3.49088e+05   -1.37602e+06    1.92668e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09108e+02   -2.18881e+02   -1.09589e+02    3.60634e-06

           Step           Time
      196680000   393360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49407e+03    2.35804e+04    1.63754e+04    1.39651e+03   -4.43485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05012e+03    1.45703e+05    2.71713e+05   -1.78431e+04   -2.19094e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21909e+04   -1.72672e+06    3.50248e+05   -1.37647e+06    1.92671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10134e+02   -2.18836e+02   -9.30044e+01    3.71323e-06

           Step           Time
      196685000   393370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.01019e+03    2.38212e+04    1.63972e+04    1.39367e+03   -4.22985e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19344e+03    1.45514e+05    2.74516e+05   -1.78418e+04   -2.19287e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21541e+04   -1.72594e+06    3.48749e+05   -1.37719e+06    1.92682e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08807e+02   -2.18804e+02    2.52016e+01    3.66136e-06

           Step           Time
      196690000   393380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51245e+03    2.37474e+04    1.61864e+04    1.41018e+03   -4.27870e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05809e+03    1.45580e+05    2.74469e+05   -1.78743e+04   -2.19207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21956e+04   -1.72506e+06    3.48604e+05   -1.37646e+06    1.92695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08679e+02   -2.19600e+02    2.46236e+01    3.45635e-06

           Step           Time
      196695000   393390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48550e+03    2.39902e+04    1.65248e+04    1.40052e+03   -4.20290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04864e+03    1.45711e+05    2.74521e+05   -1.78110e+04   -2.19155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22204e+04   -1.72366e+06    3.49835e+05   -1.37383e+06    1.92699e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09769e+02   -2.18048e+02    2.23155e+01    3.53762e-06

           Step           Time
      196700000   393400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18684e+03    2.38927e+04    1.63878e+04    1.37125e+03   -4.42096e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10376e+03    1.45906e+05    2.70804e+05   -1.78224e+04   -2.18923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23385e+04   -1.72549e+06    3.48894e+05   -1.37659e+06    1.92709e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08936e+02   -2.18328e+02   -1.22150e+02    3.50218e-06

           Step           Time
      196705000   393410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42449e+03    2.35214e+04    1.63198e+04    1.37623e+03   -4.19945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21369e+03    1.45938e+05    2.73630e+05   -1.77853e+04   -2.18903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22655e+04   -1.72233e+06    3.50395e+05   -1.37193e+06    1.92710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10265e+02   -2.17422e+02    5.91315e+01    3.56420e-06

           Step           Time
      196710000   393420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46110e+03    2.42216e+04    1.64642e+04    1.40413e+03   -4.36405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11710e+03    1.46183e+05    2.76127e+05   -1.78394e+04   -2.19400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21271e+04   -1.72410e+06    3.50697e+05   -1.37340e+06    1.92723e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10532e+02   -2.18744e+02    8.17617e+01    3.50373e-06

           Step           Time
      196715000   393430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53546e+03    2.37089e+04    1.62700e+04    1.38466e+03   -4.41587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18561e+03    1.45850e+05    2.71463e+05   -1.77835e+04   -2.18711e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21264e+04   -1.72278e+06    3.50232e+05   -1.37255e+06    1.92730e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10121e+02   -2.17378e+02   -1.52858e+02    3.40881e-06

           Step           Time
      196720000   393440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22278e+03    2.36729e+04    1.64475e+04    1.44972e+03   -4.32580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10205e+03    1.45743e+05    2.71968e+05   -1.78382e+04   -2.18909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24285e+04   -1.72422e+06    3.50497e+05   -1.37372e+06    1.92735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.18714e+02   -6.65620e+01    3.62836e-06

           Step           Time
      196725000   393450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30923e+03    2.36360e+04    1.66166e+04    1.43918e+03   -4.33994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12110e+03    1.46044e+05    2.74627e+05   -1.78482e+04   -2.19227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21456e+04   -1.72452e+06    3.50800e+05   -1.37372e+06    1.92744e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10624e+02   -2.18961e+02    5.43780e+01    3.66612e-06

           Step           Time
      196730000   393460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09192e+03    2.35612e+04    1.63332e+04    1.42866e+03   -4.26874e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.37459e+03    1.45754e+05    2.75587e+05   -1.78504e+04   -2.19297e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21866e+04   -1.72477e+06    3.50123e+05   -1.37465e+06    1.92754e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10024e+02   -2.19014e+02    1.34137e+02    3.66011e-06

           Step           Time
      196735000   393470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31803e+03    2.35854e+04    1.60845e+04    1.47350e+03   -4.27166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95358e+03    1.45360e+05    2.73390e+05   -1.78062e+04   -2.19074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19603e+04   -1.72569e+06    3.49734e+05   -1.37596e+06    1.92762e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09679e+02   -2.17931e+02   -5.86807e+01    3.56787e-06

           Step           Time
      196740000   393480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54922e+03    2.39099e+04    1.63300e+04    1.41176e+03   -4.19625e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13089e+03    1.45079e+05    2.73796e+05   -1.78925e+04   -2.19196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20740e+04   -1.72577e+06    3.49031e+05   -1.37674e+06    1.92776e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09058e+02   -2.20047e+02    1.65572e+01    3.44655e-06

           Step           Time
      196745000   393490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23724e+03    2.38353e+04    1.62055e+04    1.39074e+03   -4.21263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24115e+03    1.45471e+05    2.75904e+05   -1.78516e+04   -2.19421e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20296e+04   -1.72596e+06    3.48597e+05   -1.37736e+06    1.92787e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08673e+02   -2.19043e+02    7.24803e+01    3.57598e-06

           Step           Time
      196750000   393500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25671e+03    2.39219e+04    1.63991e+04    1.48143e+03   -4.18907e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22714e+03    1.45717e+05    2.75513e+05   -1.78467e+04   -2.19092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22404e+04   -1.72220e+06    3.49708e+05   -1.37249e+06    1.92792e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09656e+02   -2.18924e+02    1.56695e+02    3.64932e-06

           Step           Time
      196755000   393510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21483e+03    2.38764e+04    1.63404e+04    1.39952e+03   -4.15940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18119e+03    1.44910e+05    2.73196e+05   -1.78159e+04   -2.18974e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22842e+04   -1.72431e+06    3.51837e+05   -1.37248e+06    1.92797e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11542e+02   -2.18169e+02   -7.40720e+00    3.61706e-06

           Step           Time
      196760000   393520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31136e+03    2.36731e+04    1.61808e+04    1.46248e+03   -4.23053e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20984e+03    1.45243e+05    2.73947e+05   -1.78202e+04   -2.19155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21302e+04   -1.72545e+06    3.51419e+05   -1.37403e+06    1.92805e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11171e+02   -2.18275e+02    4.67289e+01    3.63271e-06

           Step           Time
      196765000   393530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35942e+03    2.36529e+04    1.63550e+04    1.37502e+03   -4.16289e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11890e+03    1.45488e+05    2.74178e+05   -1.78736e+04   -2.19145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23256e+04   -1.72463e+06    3.49616e+05   -1.37502e+06    1.92815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09575e+02   -2.19583e+02    4.37396e+01    3.73453e-06

Writing checkpoint, step 196765400 at Tue Jun 11 11:09:11 2024


           Step           Time
      196770000   393540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42701e+03    2.40071e+04    1.63957e+04    1.42193e+03   -4.20220e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07951e+03    1.45723e+05    2.76534e+05   -1.78490e+04   -2.19259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23499e+04   -1.72270e+06    3.52325e+05   -1.37038e+06    1.92822e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11974e+02   -2.18980e+02    1.42696e+02    3.78569e-06

           Step           Time
      196775000   393550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25818e+03    2.37015e+04    1.62459e+04    1.32793e+03   -4.17299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16784e+03    1.45219e+05    2.73478e+05   -1.78720e+04   -2.19006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21391e+04   -1.72456e+06    3.49085e+05   -1.37548e+06    1.92829e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09105e+02   -2.19545e+02    4.19412e+01    3.50257e-06

           Step           Time
      196780000   393560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42545e+03    2.40414e+04    1.62922e+04    1.37558e+03   -4.24800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09340e+03    1.45294e+05    2.73334e+05   -1.78678e+04   -2.18942e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21119e+04   -1.72356e+06    3.49836e+05   -1.37373e+06    1.92836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09770e+02   -2.19440e+02    5.29500e+01    3.47138e-06

           Step           Time
      196785000   393570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19840e+03    2.38052e+04    1.63363e+04    1.38262e+03   -4.34278e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19296e+03    1.45660e+05    2.72580e+05   -1.78375e+04   -2.18955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20364e+04   -1.72454e+06    3.49750e+05   -1.37479e+06    1.92842e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.18698e+02   -1.01883e+01    3.55312e-06

           Step           Time
      196790000   393580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14596e+03    2.40569e+04    1.63323e+04    1.42060e+03   -4.36029e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17587e+03    1.45255e+05    2.75777e+05   -1.78410e+04   -2.19295e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20302e+04   -1.72496e+06    3.50428e+05   -1.37453e+06    1.92852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10294e+02   -2.18783e+02    1.01963e+02    3.52458e-06

           Step           Time
      196795000   393590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55023e+03    2.36222e+04    1.64013e+04    1.46641e+03   -4.23297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10336e+03    1.45146e+05    2.73355e+05   -1.78355e+04   -2.18924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22861e+04   -1.72337e+06    3.49738e+05   -1.37363e+06    1.92859e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09683e+02   -2.18648e+02   -1.50496e+01    3.67830e-06

           Step           Time
      196800000   393600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38282e+03    2.39180e+04    1.61416e+04    1.30396e+03   -4.19401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18438e+03    1.45236e+05    2.75163e+05   -1.78365e+04   -2.19200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22768e+04   -1.72442e+06    3.51296e+05   -1.37313e+06    1.92867e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11063e+02   -2.18674e+02    4.99714e+01    3.56352e-06

           Step           Time
      196805000   393610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52920e+03    2.31863e+04    1.64908e+04    1.40089e+03   -4.16622e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08712e+03    1.45303e+05    2.72112e+05   -1.77913e+04   -2.18900e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21096e+04   -1.72474e+06    3.51416e+05   -1.37333e+06    1.92871e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11169e+02   -2.17568e+02   -1.03604e+02    3.58562e-06

           Step           Time
      196810000   393620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18851e+03    2.39862e+04    1.62454e+04    1.36299e+03   -4.17412e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11252e+03    1.45173e+05    2.72846e+05   -1.77943e+04   -2.18996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21125e+04   -1.72490e+06    3.48982e+05   -1.37592e+06    1.92879e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09013e+02   -2.17641e+02    1.94669e+01    3.57130e-06

           Step           Time
      196815000   393630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23749e+03    2.41936e+04    1.62624e+04    1.42377e+03   -4.16530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13952e+03    1.45784e+05    2.75035e+05   -1.78251e+04   -2.19221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20917e+04   -1.72403e+06    3.51825e+05   -1.37220e+06    1.92886e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11531e+02   -2.18395e+02    4.64105e+01    3.61706e-06

           Step           Time
      196820000   393640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40072e+03    2.38228e+04    1.63664e+04    1.35945e+03   -4.13563e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07865e+03    1.45844e+05    2.72757e+05   -1.78478e+04   -2.18931e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23595e+04   -1.72331e+06    3.48976e+05   -1.37433e+06    1.92895e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09008e+02   -2.18951e+02   -1.86193e+01    3.47171e-06

           Step           Time
      196825000   393650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49741e+03    2.42973e+04    1.63942e+04    1.42278e+03   -4.36285e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03559e+03    1.45195e+05    2.74480e+05   -1.78125e+04   -2.19108e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23153e+04   -1.72362e+06    3.51282e+05   -1.37234e+06    1.92905e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11050e+02   -2.18087e+02   -5.48675e+01    3.57904e-06

           Step           Time
      196830000   393660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37530e+03    2.37299e+04    1.62758e+04    1.36695e+03   -4.30071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07158e+03    1.45146e+05    2.73532e+05   -1.78668e+04   -2.19115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20808e+04   -1.72574e+06    3.49847e+05   -1.37589e+06    1.92917e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09779e+02   -2.19416e+02   -1.83573e+01    3.55065e-06

           Step           Time
      196835000   393670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54278e+03    2.37127e+04    1.64670e+04    1.42719e+03   -4.22652e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11716e+03    1.45300e+05    2.72510e+05   -1.78305e+04   -2.18704e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20818e+04   -1.72194e+06    3.50254e+05   -1.37169e+06    1.92923e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10140e+02   -2.18526e+02   -5.29507e+01    3.56455e-06

           Step           Time
      196840000   393680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39081e+03    2.39535e+04    1.65279e+04    1.35615e+03   -4.17675e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21820e+03    1.45531e+05    2.76416e+05   -1.77946e+04   -2.19412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24068e+04   -1.72429e+06    3.51368e+05   -1.37293e+06    1.92932e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11126e+02   -2.17649e+02    1.35700e+02    3.58593e-06

           Step           Time
      196845000   393690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33267e+03    2.38299e+04    1.63009e+04    1.50338e+03   -4.13118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16338e+03    1.45328e+05    2.74236e+05   -1.78224e+04   -2.19153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22324e+04   -1.72455e+06    3.49761e+05   -1.37479e+06    1.92940e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09703e+02   -2.18328e+02   -2.19195e+01    3.57296e-06

           Step           Time
      196850000   393700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61182e+03    2.39459e+04    1.61539e+04    1.37166e+03   -4.20219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12923e+03    1.45167e+05    2.73883e+05   -1.78115e+04   -2.19219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20743e+04   -1.72587e+06    3.49078e+05   -1.37679e+06    1.92953e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09099e+02   -2.18062e+02   -3.85638e+01    3.39969e-06

           Step           Time
      196855000   393710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33698e+03    2.36622e+04    1.64509e+04    1.38044e+03   -4.27222e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.39764e+03    1.45073e+05    2.76565e+05   -1.78697e+04   -2.19437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20815e+04   -1.72557e+06    3.49578e+05   -1.37599e+06    1.92961e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09541e+02   -2.19487e+02    1.85380e+02    3.56280e-06

           Step           Time
      196860000   393720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13646e+03    2.36760e+04    1.63491e+04    1.44929e+03   -4.27734e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28245e+03    1.44953e+05    2.75758e+05   -1.78421e+04   -2.19412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23176e+04   -1.72632e+06    3.49840e+05   -1.37648e+06    1.92965e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09773e+02   -2.18810e+02    8.96815e+01    3.44666e-06

           Step           Time
      196865000   393730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42776e+03    2.34364e+04    1.61976e+04    1.41520e+03   -4.07447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19384e+03    1.45130e+05    2.72398e+05   -1.78076e+04   -2.18854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20957e+04   -1.72413e+06    3.48769e+05   -1.37536e+06    1.92971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08826e+02   -2.17966e+02   -1.22682e+02    3.47768e-06

           Step           Time
      196870000   393740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14366e+03    2.35610e+04    1.64437e+04    1.41212e+03   -4.18392e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20248e+03    1.44850e+05    2.74569e+05   -1.77817e+04   -2.19195e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22639e+04   -1.72547e+06    3.48796e+05   -1.37668e+06    1.92983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08849e+02   -2.17333e+02   -7.30271e+01    3.59439e-06

           Step           Time
      196875000   393750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27595e+03    2.39409e+04    1.63737e+04    1.32423e+03   -4.35231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20764e+03    1.44715e+05    2.75142e+05   -1.78725e+04   -2.19346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21099e+04   -1.72660e+06    3.50374e+05   -1.37623e+06    1.92991e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10246e+02   -2.19556e+02    1.02037e+02    3.39960e-06

           Step           Time
      196880000   393760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31348e+03    2.37087e+04    1.64779e+04    1.42317e+03   -4.24992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15536e+03    1.45272e+05    2.74314e+05   -1.78065e+04   -2.19283e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20452e+04   -1.72618e+06    3.51255e+05   -1.37492e+06    1.92997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11026e+02   -2.17941e+02    6.45668e-01    3.55628e-06

           Step           Time
      196885000   393770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43147e+03    2.34672e+04    1.61828e+04    1.33021e+03   -4.21250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14415e+03    1.45148e+05    2.74097e+05   -1.78080e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21958e+04   -1.72497e+06    3.49784e+05   -1.37519e+06    1.93010e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09724e+02   -2.17976e+02   -1.95006e+01    3.53525e-06

           Step           Time
      196890000   393780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32943e+03    2.38587e+04    1.64011e+04    1.45355e+03   -4.22195e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24744e+03    1.45139e+05    2.71176e+05   -1.78071e+04   -2.18699e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21564e+04   -1.72326e+06    3.49206e+05   -1.37405e+06    1.93016e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09212e+02   -2.17953e+02   -9.28712e+01    3.52202e-06

           Step           Time
      196895000   393790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34598e+03    2.39822e+04    1.64329e+04    1.28250e+03   -4.20448e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21268e+03    1.44882e+05    2.74840e+05   -1.78292e+04   -2.19207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23543e+04   -1.72477e+06    3.50372e+05   -1.37440e+06    1.93025e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10245e+02   -2.18496e+02    4.80157e+01    3.62008e-06

           Step           Time
      196900000   393800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30535e+03    2.34749e+04    1.63388e+04    1.31175e+03   -4.21852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22558e+03    1.44704e+05    2.75991e+05   -1.78580e+04   -2.19368e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20830e+04   -1.72632e+06    3.49624e+05   -1.37670e+06    1.93030e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09582e+02   -2.19200e+02    8.54334e+01    3.57324e-06

           Step           Time
      196905000   393810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38710e+03    2.34814e+04    1.63534e+04    1.39319e+03   -4.22674e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96629e+03    1.45263e+05    2.74735e+05   -1.78264e+04   -2.19291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21014e+04   -1.72629e+06    3.49264e+05   -1.37702e+06    1.93037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09263e+02   -2.18427e+02   -7.91160e+01    3.65312e-06

           Step           Time
      196910000   393820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19693e+03    2.34276e+04    1.59854e+04    1.39012e+03   -4.15355e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19851e+03    1.45672e+05    2.76287e+05   -1.78136e+04   -2.19444e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22415e+04   -1.72601e+06    3.50580e+05   -1.37543e+06    1.93045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10429e+02   -2.18112e+02    1.22581e+02    3.62940e-06

           Step           Time
      196915000   393830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39906e+03    2.38147e+04    1.63529e+04    1.41770e+03   -4.11409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00655e+03    1.44932e+05    2.74408e+05   -1.78622e+04   -2.19278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22194e+04   -1.72620e+06    3.49791e+05   -1.37641e+06    1.93055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09730e+02   -2.19304e+02   -2.45016e+00    3.55449e-06

           Step           Time
      196920000   393840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46137e+03    2.38290e+04    1.63687e+04    1.42407e+03   -4.23249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16429e+03    1.44603e+05    2.73234e+05   -1.78237e+04   -2.18921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21905e+04   -1.72400e+06    3.50285e+05   -1.37371e+06    1.93061e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10168e+02   -2.18360e+02   -2.34167e+01    3.42692e-06

           Step           Time
      196925000   393850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57283e+03    2.37393e+04    1.63217e+04    1.30109e+03   -4.37019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01798e+03    1.45345e+05    2.75055e+05   -1.78086e+04   -2.19192e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20584e+04   -1.72469e+06    3.49607e+05   -1.37508e+06    1.93068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09567e+02   -2.17990e+02   -2.07470e+01    3.66721e-06

           Step           Time
      196930000   393860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.06538e+03    2.36016e+04    1.62744e+04    1.41477e+03   -4.29373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09153e+03    1.44990e+05    2.73333e+05   -1.78656e+04   -2.19194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21982e+04   -1.72713e+06    3.50360e+05   -1.37677e+06    1.93077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10234e+02   -2.19386e+02   -2.50181e+01    3.57912e-06

           Step           Time
      196935000   393870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57679e+03    2.34424e+04    1.62630e+04    1.30132e+03   -4.25352e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23282e+03    1.44568e+05    2.75404e+05   -1.78379e+04   -2.19408e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21664e+04   -1.72722e+06    3.48766e+05   -1.37845e+06    1.93091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08823e+02   -2.18707e+02    4.96433e+01    3.39639e-06

           Step           Time
      196940000   393880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57047e+03    2.36525e+04    1.61004e+04    1.28827e+03   -4.12086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14124e+03    1.45154e+05    2.72445e+05   -1.77798e+04   -2.18907e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22822e+04   -1.72434e+06    3.50980e+05   -1.37336e+06    1.93093e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10783e+02   -2.17288e+02   -1.49038e+02    3.63546e-06

           Step           Time
      196945000   393890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33229e+03    2.34072e+04    1.59930e+04    1.36877e+03   -4.10482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07170e+03    1.44712e+05    2.74617e+05   -1.77841e+04   -2.19169e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20975e+04   -1.72598e+06    3.48181e+05   -1.37780e+06    1.93104e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08305e+02   -2.17392e+02   -5.28492e+01    3.52819e-06

           Step           Time
      196950000   393900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.68661e+03    2.35578e+04    1.62431e+04    1.42870e+03   -4.00758e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03367e+03    1.45368e+05    2.74078e+05   -1.78571e+04   -2.19207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22621e+04   -1.72528e+06    3.50743e+05   -1.37454e+06    1.93110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10573e+02   -2.19179e+02   -5.35335e+01    3.70767e-06

           Step           Time
      196955000   393910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07799e+03    2.38345e+04    1.63538e+04    1.27440e+03   -4.23251e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27560e+03    1.44931e+05    2.71226e+05   -1.77851e+04   -2.18891e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22657e+04   -1.72569e+06    3.49670e+05   -1.37602e+06    1.93117e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09623e+02   -2.17417e+02   -8.45613e+01    3.52699e-06

           Step           Time
      196960000   393920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46372e+03    2.33876e+04    1.59858e+04    1.37707e+03   -3.98975e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96645e+03    1.46097e+05    2.72745e+05   -1.78260e+04   -2.19113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23031e+04   -1.72562e+06    3.51398e+05   -1.37422e+06    1.93129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11153e+02   -2.18416e+02   -1.85257e+02    3.53123e-06

           Step           Time
      196965000   393930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62551e+03    2.36661e+04    1.63809e+04    1.42533e+03   -4.17970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08698e+03    1.44214e+05    2.73920e+05   -1.78337e+04   -2.19089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23505e+04   -1.72523e+06    3.50203e+05   -1.37503e+06    1.93138e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10095e+02   -2.18605e+02   -1.74811e+01    3.65971e-06

           Step           Time
      196970000   393940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46720e+03    2.38226e+04    1.64364e+04    1.31724e+03   -4.12284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19464e+03    1.45327e+05    2.75544e+05   -1.78340e+04   -2.19375e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23381e+04   -1.72526e+06    3.49282e+05   -1.37598e+06    1.93147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09279e+02   -2.18612e+02    7.42734e+01    3.45788e-06

           Step           Time
      196975000   393950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29931e+03    2.34264e+04    1.61553e+04    1.38833e+03   -4.21118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18004e+03    1.44942e+05    2.74713e+05   -1.78109e+04   -2.19146e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22999e+04   -1.72508e+06    3.50448e+05   -1.37464e+06    1.93149e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10312e+02   -2.18047e+02    2.62037e+00    3.39794e-06

           Step           Time
      196980000   393960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14988e+03    2.35041e+04    1.64861e+04    1.45393e+03   -4.17419e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30220e+03    1.45356e+05    2.74349e+05   -1.78249e+04   -2.19125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22363e+04   -1.72441e+06    3.49090e+05   -1.37532e+06    1.93159e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09110e+02   -2.18389e+02    7.18720e+01    3.56698e-06

           Step           Time
      196985000   393970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35718e+03    2.42716e+04    1.64565e+04    1.38243e+03   -4.25580e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19959e+03    1.44948e+05    2.74359e+05   -1.78243e+04   -2.19107e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21118e+04   -1.72407e+06    3.49236e+05   -1.37483e+06    1.93170e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09239e+02   -2.18375e+02    2.74574e+01    3.46426e-06

           Step           Time
      196990000   393980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44319e+03    2.31905e+04    1.60144e+04    1.39628e+03   -4.18913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18952e+03    1.45557e+05    2.72084e+05   -1.77647e+04   -2.18881e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20507e+04   -1.72484e+06    3.51180e+05   -1.37366e+06    1.93168e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10960e+02   -2.16918e+02   -1.72429e+02    3.62267e-06

           Step           Time
      196995000   393990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17740e+03    2.33525e+04    1.62323e+04    1.41532e+03   -4.27205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23255e+03    1.45986e+05    2.72958e+05   -1.77621e+04   -2.19074e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21533e+04   -1.72526e+06    3.48713e+05   -1.37655e+06    1.93182e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08776e+02   -2.16856e+02   -6.99071e+01    3.57393e-06

           Step           Time
      197000000   394000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46920e+03    2.37098e+04    1.62525e+04    1.41674e+03   -4.33165e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26840e+03    1.44971e+05    2.73285e+05   -1.78176e+04   -2.19088e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21003e+04   -1.72556e+06    3.50803e+05   -1.37476e+06    1.93190e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10626e+02   -2.18210e+02   -5.42605e+01    3.54788e-06

           Step           Time
      197005000   394010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59154e+03    2.43082e+04    1.62543e+04    1.45625e+03   -4.28915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20499e+03    1.44866e+05    2.72471e+05   -1.78014e+04   -2.18553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23088e+04   -1.72016e+06    3.51835e+05   -1.36832e+06    1.93203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11540e+02   -2.17815e+02    6.11690e+00    3.69830e-06

           Step           Time
      197010000   394020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42171e+03    2.35771e+04    1.62471e+04    1.37133e+03   -4.32348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19171e+03    1.45006e+05    2.74085e+05   -1.78349e+04   -2.19142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21564e+04   -1.72553e+06    3.49767e+05   -1.37576e+06    1.93208e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09709e+02   -2.18633e+02    4.21550e+01    3.57219e-06

           Step           Time
      197015000   394030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53770e+03    2.37220e+04    1.61157e+04    1.36403e+03   -4.13456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21918e+03    1.45527e+05    2.73216e+05   -1.78200e+04   -2.19011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21837e+04   -1.72418e+06    3.51292e+05   -1.37289e+06    1.93220e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11059e+02   -2.18270e+02   -5.46301e+01    3.67812e-06

           Step           Time
      197020000   394040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44649e+03    2.32273e+04    1.62849e+04    1.51131e+03   -4.14439e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20434e+03    1.45261e+05    2.73442e+05   -1.78310e+04   -2.18895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22089e+04   -1.72333e+06    3.49960e+05   -1.37337e+06    1.93224e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09880e+02   -2.18538e+02    1.64257e+01    3.53400e-06

           Step           Time
      197025000   394050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49706e+03    2.34602e+04    1.62491e+04    1.38682e+03   -4.18884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19909e+03    1.44895e+05    2.73374e+05   -1.78559e+04   -2.18869e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24320e+04   -1.72324e+06    3.50153e+05   -1.37309e+06    1.93232e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10051e+02   -2.19149e+02    2.85540e+01    3.55037e-06

           Step           Time
      197030000   394060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34828e+03    2.35662e+04    1.63620e+04    1.37412e+03   -4.20768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10732e+03    1.45185e+05    2.71529e+05   -1.78075e+04   -2.18812e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22901e+04   -1.72438e+06    3.49973e+05   -1.37440e+06    1.93241e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09891e+02   -2.17964e+02   -1.57553e+02    3.57204e-06

           Step           Time
      197035000   394070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51032e+03    2.37468e+04    1.63011e+04    1.33573e+03   -4.22791e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15385e+03    1.44855e+05    2.74394e+05   -1.78191e+04   -2.19004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22155e+04   -1.72357e+06    3.49919e+05   -1.37366e+06    1.93252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09843e+02   -2.18248e+02    4.09677e+01    3.53215e-06

           Step           Time
      197040000   394080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30096e+03    2.36842e+04    1.63912e+04    1.40305e+03   -4.28597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12783e+03    1.44685e+05    2.74579e+05   -1.78257e+04   -2.19132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22609e+04   -1.72500e+06    3.50652e+05   -1.37435e+06    1.93252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10492e+02   -2.18410e+02    5.84869e+01    3.63352e-06

           Step           Time
      197045000   394090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34243e+03    2.36160e+04    1.64354e+04    1.33008e+03   -4.25695e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03256e+03    1.45144e+05    2.74809e+05   -1.78388e+04   -2.19223e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21138e+04   -1.72551e+06    3.49918e+05   -1.37559e+06    1.93263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09843e+02   -2.18730e+02   -1.54459e+01    3.53414e-06

           Step           Time
      197050000   394100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54217e+03    2.35029e+04    1.61980e+04    1.45242e+03   -4.19976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19108e+03    1.45398e+05    2.73134e+05   -1.78441e+04   -2.18903e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22255e+04   -1.72343e+06    3.50098e+05   -1.37333e+06    1.93271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10002e+02   -2.18859e+02   -8.65976e+01    3.57161e-06

           Step           Time
      197055000   394110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47559e+03    2.35946e+04    1.61720e+04    1.34796e+03   -4.19066e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19199e+03    1.45153e+05    2.73300e+05   -1.77921e+04   -2.18985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22265e+04   -1.72438e+06    3.50953e+05   -1.37342e+06    1.93275e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.17588e+02   -3.07564e+01    3.48532e-06

           Step           Time
      197060000   394120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23747e+03    2.37041e+04    1.62554e+04    1.47020e+03   -4.15420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20180e+03    1.44830e+05    2.74665e+05   -1.77901e+04   -2.18754e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20687e+04   -1.72106e+06    3.49037e+05   -1.37202e+06    1.93280e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09062e+02   -2.17539e+02    1.01822e+02    3.49633e-06

           Step           Time
      197065000   394130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37403e+03    2.34396e+04    1.63632e+04    1.32805e+03   -4.25940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14916e+03    1.45394e+05    2.74156e+05   -1.78161e+04   -2.19052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21140e+04   -1.72428e+06    3.49409e+05   -1.37487e+06    1.93285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09392e+02   -2.18173e+02   -1.74673e-01    3.47856e-06

           Step           Time
      197070000   394140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42699e+03    2.38920e+04    1.65047e+04    1.40234e+03   -4.30726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26741e+03    1.44804e+05    2.74943e+05   -1.78151e+04   -2.18861e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23570e+04   -1.72114e+06    3.51223e+05   -1.36992e+06    1.93294e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10998e+02   -2.18151e+02    9.81471e+01    3.66897e-06

           Step           Time
      197075000   394150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27322e+03    2.36780e+04    1.65884e+04    1.47440e+03   -4.25626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28308e+03    1.44756e+05    2.72943e+05   -1.77506e+04   -2.18836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23521e+04   -1.72302e+06    3.49587e+05   -1.37343e+06    1.93299e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09549e+02   -2.16576e+02    2.09585e+01    3.75971e-06

           Step           Time
      197080000   394160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35895e+03    2.34045e+04    1.61972e+04    1.39008e+03   -4.18536e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18740e+03    1.45051e+05    2.73775e+05   -1.78421e+04   -2.18946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22067e+04   -1.72392e+06    3.51210e+05   -1.37271e+06    1.93309e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.18812e+02    4.87479e+01    3.55213e-06

           Step           Time
      197085000   394170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39454e+03    2.33676e+04    1.64180e+04    1.42465e+03   -4.20202e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23916e+03    1.44989e+05    2.73918e+05   -1.78220e+04   -2.19186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20740e+04   -1.72606e+06    3.50487e+05   -1.37557e+06    1.93315e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10347e+02   -2.18318e+02    2.81731e+00    3.47157e-06

           Step           Time
      197090000   394180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44271e+03    2.35931e+04    1.62410e+04    1.39656e+03   -4.13231e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15784e+03    1.44736e+05    2.73887e+05   -1.78401e+04   -2.18961e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22548e+04   -1.72387e+06    3.49923e+05   -1.37395e+06    1.93323e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09847e+02   -2.18761e+02    3.03897e+01    3.72115e-06

           Step           Time
      197095000   394190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54705e+03    2.33216e+04    1.62298e+04    1.39099e+03   -4.17507e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22428e+03    1.45663e+05    2.72565e+05   -1.78718e+04   -2.19121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21923e+04   -1.72612e+06    3.50767e+05   -1.37535e+06    1.93334e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.19539e+02   -7.08783e+01    3.56481e-06

           Step           Time
      197100000   394200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35113e+03    2.35750e+04    1.64158e+04    1.50280e+03   -4.23421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20056e+03    1.45533e+05    2.72950e+05   -1.78250e+04   -2.18956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23000e+04   -1.72379e+06    3.48650e+05   -1.37514e+06    1.93346e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08720e+02   -2.18393e+02   -7.72826e+00    3.54030e-06

           Step           Time
      197105000   394210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28596e+03    2.35139e+04    1.62212e+04    1.47859e+03   -4.19614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28650e+03    1.45053e+05    2.73108e+05   -1.78437e+04   -2.19110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24100e+04   -1.72578e+06    3.48849e+05   -1.37693e+06    1.93352e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08896e+02   -2.18850e+02   -4.64952e+01    3.56387e-06

           Step           Time
      197110000   394220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29151e+03    2.35574e+04    1.62079e+04    1.38222e+03   -4.02801e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18334e+03    1.45274e+05    2.74173e+05   -1.78881e+04   -2.19110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22049e+04   -1.72474e+06    3.50223e+05   -1.37451e+06    1.93358e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10113e+02   -2.19939e+02    7.78005e+01    3.73367e-06

           Step           Time
      197115000   394230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10616e+03    2.34461e+04    1.61122e+04    1.41189e+03   -4.22527e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.33327e+03    1.44898e+05    2.72151e+05   -1.78510e+04   -2.19098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22038e+04   -1.72740e+06    3.48826e+05   -1.37857e+06    1.93369e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08876e+02   -2.19028e+02    1.12819e+01    3.55499e-06

           Step           Time
      197120000   394240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20048e+03    2.39683e+04    1.60292e+04    1.40480e+03   -4.22641e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19797e+03    1.44912e+05    2.75570e+05   -1.78361e+04   -2.19206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20718e+04   -1.72477e+06    3.50321e+05   -1.37445e+06    1.93376e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10200e+02   -2.18665e+02    1.57022e+02    3.55440e-06

           Step           Time
      197125000   394250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35188e+03    2.36805e+04    1.63649e+04    1.37314e+03   -4.24310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18154e+03    1.44914e+05    2.75804e+05   -1.78607e+04   -2.19454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21242e+04   -1.72685e+06    3.49935e+05   -1.37691e+06    1.93385e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09858e+02   -2.19266e+02    4.28858e+01    3.54235e-06

           Step           Time
      197130000   394260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30890e+03    2.36512e+04    1.64509e+04    1.36272e+03   -4.15415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17170e+03    1.44830e+05    2.74891e+05   -1.78613e+04   -2.19138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22580e+04   -1.72447e+06    3.49777e+05   -1.37470e+06    1.93390e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09718e+02   -2.19281e+02    8.88032e+01    3.44019e-06

           Step           Time
      197135000   394270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57225e+03    2.38027e+04    1.63753e+04    1.48078e+03   -4.13605e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96437e+03    1.45310e+05    2.72243e+05   -1.78167e+04   -2.18825e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22377e+04   -1.72322e+06    3.51586e+05   -1.37163e+06    1.93396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11320e+02   -2.18190e+02   -5.01149e+01    3.60065e-06

           Step           Time
      197140000   394280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39941e+03    2.39121e+04    1.63976e+04    1.31880e+03   -4.26120e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16451e+03    1.45506e+05    2.72925e+05   -1.78034e+04   -2.18879e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22688e+04   -1.72296e+06    3.50050e+05   -1.37291e+06    1.93411e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09959e+02   -2.17863e+02   -8.52078e+00    3.58440e-06

           Step           Time
      197145000   394290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42128e+03    2.31650e+04    1.63737e+04    1.38181e+03   -4.19532e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11163e+03    1.45134e+05    2.74648e+05   -1.78803e+04   -2.19433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20884e+04   -1.72808e+06    3.49801e+05   -1.37828e+06    1.93415e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09739e+02   -2.19749e+02    4.44913e+01    3.49112e-06

           Step           Time
      197150000   394300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53046e+03    2.34017e+04    1.62794e+04    1.32144e+03   -4.22310e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11508e+03    1.45374e+05    2.74832e+05   -1.78102e+04   -2.19134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20822e+04   -1.72443e+06    3.48940e+05   -1.37549e+06    1.93425e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08977e+02   -2.18030e+02   -2.47233e+00    3.60955e-06

           Step           Time
      197155000   394310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42971e+03    2.37256e+04    1.61456e+04    1.35940e+03   -4.11155e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15063e+03    1.44936e+05    2.74770e+05   -1.78348e+04   -2.19282e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23415e+04   -1.72591e+06    3.49384e+05   -1.37652e+06    1.93436e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09370e+02   -2.18632e+02    4.03839e+01    3.52355e-06

           Step           Time
      197160000   394320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28177e+03    2.32529e+04    1.62523e+04    1.41541e+03   -4.18365e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25811e+03    1.45103e+05    2.73185e+05   -1.78097e+04   -2.19042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21154e+04   -1.72555e+06    3.49596e+05   -1.37596e+06    1.93436e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09557e+02   -2.18018e+02    7.22721e+00    3.71232e-06

           Step           Time
      197165000   394330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19312e+03    2.33591e+04    1.61715e+04    1.34618e+03   -4.17346e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20441e+03    1.45395e+05    2.75276e+05   -1.78394e+04   -2.19275e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22237e+04   -1.72559e+06    3.49427e+05   -1.37616e+06    1.93444e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09408e+02   -2.18745e+02    8.18068e+01    3.66256e-06

           Step           Time
      197170000   394340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21935e+03    2.36811e+04    1.62849e+04    1.41300e+03   -4.21623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19124e+03    1.45104e+05    2.75990e+05   -1.78272e+04   -2.19355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22165e+04   -1.72549e+06    3.52009e+05   -1.37348e+06    1.93450e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11694e+02   -2.18445e+02    1.48713e+02    3.57776e-06

           Step           Time
      197175000   394350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49359e+03    2.39565e+04    1.62011e+04    1.41720e+03   -4.17626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26676e+03    1.44641e+05    2.71897e+05   -1.78485e+04   -2.18795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22593e+04   -1.72384e+06    3.49420e+05   -1.37442e+06    1.93466e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09401e+02   -2.18968e+02   -5.18466e+01    3.58399e-06

           Step           Time
      197180000   394360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43172e+03    2.36908e+04    1.62888e+04    1.32165e+03   -4.12513e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27039e+03    1.45333e+05    2.72331e+05   -1.78041e+04   -2.18779e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22156e+04   -1.72284e+06    3.49977e+05   -1.37286e+06    1.93475e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09895e+02   -2.17881e+02   -1.60800e+01    3.61218e-06

           Step           Time
      197185000   394370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54174e+03    2.35663e+04    1.64083e+04    1.33889e+03   -4.19562e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15448e+03    1.44973e+05    2.72499e+05   -1.77853e+04   -2.18868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21233e+04   -1.72406e+06    3.50761e+05   -1.37330e+06    1.93480e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10589e+02   -2.17422e+02   -5.92606e+01    3.72191e-06

           Step           Time
      197190000   394380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47904e+03    2.39685e+04    1.63123e+04    1.42779e+03   -4.32620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02238e+03    1.44262e+05    2.73230e+05   -1.78692e+04   -2.19032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23478e+04   -1.72546e+06    3.49449e+05   -1.37602e+06    1.93491e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09427e+02   -2.19474e+02   -7.38506e+01    3.57736e-06

           Step           Time
      197195000   394390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.68700e+03    2.37508e+04    1.65614e+04    1.42592e+03   -4.37816e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17583e+03    1.44614e+05    2.73326e+05   -1.78076e+04   -2.19009e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19771e+04   -1.72476e+06    3.51792e+05   -1.37296e+06    1.93499e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11502e+02   -2.17967e+02   -1.00314e+02    3.48401e-06

           Step           Time
      197200000   394400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31851e+03    2.35109e+04    1.64475e+04    1.42010e+03   -4.22688e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17204e+03    1.45042e+05    2.72409e+05   -1.78631e+04   -2.18678e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21656e+04   -1.72238e+06    3.50314e+05   -1.37207e+06    1.93507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10193e+02   -2.19325e+02    2.26960e+01    3.71762e-06

           Step           Time
      197205000   394410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33849e+03    2.41374e+04    1.63635e+04    1.31494e+03   -4.33902e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15729e+03    1.44477e+05    2.75797e+05   -1.78137e+04   -2.19331e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21060e+04   -1.72577e+06    3.47994e+05   -1.37777e+06    1.93520e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08139e+02   -2.18116e+02    8.30633e+01    3.48124e-06

           Step           Time
      197210000   394420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35600e+03    2.34167e+04    1.63065e+04    1.49016e+03   -4.24458e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08146e+03    1.45168e+05    2.75803e+05   -1.78352e+04   -2.19200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24099e+04   -1.72404e+06    3.49950e+05   -1.37409e+06    1.93521e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09871e+02   -2.18642e+02    7.00067e+01    3.71347e-06

           Step           Time
      197215000   394430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29858e+03    2.35534e+04    1.64140e+04    1.41644e+03   -4.20124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02631e+03    1.44841e+05    2.73361e+05   -1.78675e+04   -2.19116e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22781e+04   -1.72604e+06    3.49851e+05   -1.37619e+06    1.93530e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09784e+02   -2.19433e+02   -2.47223e+00    3.40025e-06

           Step           Time
      197220000   394440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34722e+03    2.35965e+04    1.63117e+04    1.41787e+03   -4.15520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18747e+03    1.45178e+05    2.72269e+05   -1.78241e+04   -2.18925e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22275e+04   -1.72469e+06    3.50482e+05   -1.37421e+06    1.93541e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10342e+02   -2.18371e+02   -7.05091e+01    3.48504e-06

           Step           Time
      197225000   394450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34062e+03    2.34411e+04    1.64367e+04    1.45428e+03   -4.40904e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13307e+03    1.45331e+05    2.75148e+05   -1.78351e+04   -2.19047e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21966e+04   -1.72323e+06    3.50930e+05   -1.37230e+06    1.93546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10739e+02   -2.18638e+02    2.88870e+01    3.54668e-06

           Step           Time
      197230000   394460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20424e+03    2.38721e+04    1.64848e+04    1.41238e+03   -4.29917e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21750e+03    1.45557e+05    2.74646e+05   -1.78176e+04   -2.19112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23784e+04   -1.72347e+06    3.50438e+05   -1.37303e+06    1.93558e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10303e+02   -2.18210e+02    7.26731e+01    3.44609e-06

           Step           Time
      197235000   394470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47124e+03    2.41049e+04    1.63240e+04    1.30046e+03   -4.25723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12723e+03    1.45746e+05    2.75470e+05   -1.77889e+04   -2.19157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21474e+04   -1.72293e+06    3.50259e+05   -1.37267e+06    1.93566e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10144e+02   -2.17510e+02    3.13851e+01    3.59583e-06

           Step           Time
      197240000   394480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37900e+03    2.35204e+04    1.63765e+04    1.47427e+03   -4.09464e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05779e+03    1.45551e+05    2.71688e+05   -1.78102e+04   -2.18916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22272e+04   -1.72479e+06    3.49809e+05   -1.37498e+06    1.93569e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09746e+02   -2.18030e+02   -1.56208e+02    3.50904e-06

           Step           Time
      197245000   394490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35646e+03    2.37661e+04    1.63103e+04    1.36682e+03   -4.13868e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04146e+03    1.45297e+05    2.72036e+05   -1.77876e+04   -2.19018e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23738e+04   -1.72556e+06    3.49288e+05   -1.37627e+06    1.93583e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09285e+02   -2.17478e+02   -1.54006e+02    3.48123e-06

           Step           Time
      197250000   394500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36796e+03    2.37443e+04    1.63620e+04    1.36363e+03   -4.20782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07991e+03    1.45216e+05    2.72746e+05   -1.78324e+04   -2.19036e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21865e+04   -1.72533e+06    3.52203e+05   -1.37313e+06    1.93588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11866e+02   -2.18573e+02   -8.17806e+01    3.64859e-06

           Step           Time
      197255000   394510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26128e+03    2.35720e+04    1.63840e+04    1.40580e+03   -4.19809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22817e+03    1.45409e+05    2.75335e+05   -1.78531e+04   -2.19127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23292e+04   -1.72339e+06    3.50032e+05   -1.37336e+06    1.93598e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09943e+02   -2.19081e+02    1.07831e+02    3.33840e-06

           Step           Time
      197260000   394520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25463e+03    2.33152e+04    1.63942e+04    1.41204e+03   -4.11423e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10716e+03    1.45524e+05    2.74475e+05   -1.77873e+04   -2.19347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22264e+04   -1.72666e+06    3.50603e+05   -1.37606e+06    1.93605e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10449e+02   -2.17471e+02   -6.74896e+00    3.52403e-06

           Step           Time
      197265000   394530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56529e+03    2.32327e+04    1.62058e+04    1.37909e+03   -4.25307e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11308e+03    1.45579e+05    2.72695e+05   -1.78262e+04   -2.19004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23869e+04   -1.72497e+06    3.51067e+05   -1.37390e+06    1.93615e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10860e+02   -2.18422e+02   -9.05286e+01    3.46132e-06

           Step           Time
      197270000   394540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23101e+03    2.38255e+04    1.62560e+04    1.38853e+03   -4.27037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16578e+03    1.45243e+05    2.73163e+05   -1.78209e+04   -2.19066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23465e+04   -1.72514e+06    3.50890e+05   -1.37425e+06    1.93622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10704e+02   -2.18292e+02   -4.03104e+01    3.61229e-06

           Step           Time
      197275000   394550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43696e+03    2.39477e+04    1.63712e+04    1.45637e+03   -4.28640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17264e+03    1.45435e+05    2.73752e+05   -1.78423e+04   -2.19031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22278e+04   -1.72364e+06    3.49963e+05   -1.37368e+06    1.93634e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09883e+02   -2.18815e+02    2.00656e+01    3.63381e-06

           Step           Time
      197280000   394560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41903e+03    2.33954e+04    1.64233e+04    1.33250e+03   -4.13541e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.97800e+03    1.45137e+05    2.74185e+05   -1.78335e+04   -2.19121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23926e+04   -1.72492e+06    3.51207e+05   -1.37371e+06    1.93635e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10984e+02   -2.18601e+02   -3.70928e+01    3.61475e-06

           Step           Time
      197285000   394570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32239e+03    2.31774e+04    1.64874e+04    1.41644e+03   -4.21823e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12126e+03    1.45271e+05    2.73428e+05   -1.78065e+04   -2.19174e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23433e+04   -1.72620e+06    3.48331e+05   -1.37787e+06    1.93641e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08437e+02   -2.17938e+02   -2.90118e+01    3.62882e-06

           Step           Time
      197290000   394580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30306e+03    2.40340e+04    1.62384e+04    1.48120e+03   -4.15327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01295e+03    1.44729e+05    2.72905e+05   -1.78236e+04   -2.19024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22844e+04   -1.72523e+06    3.50902e+05   -1.37433e+06    1.93648e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10714e+02   -2.18357e+02   -7.63156e+01    3.78203e-06

           Step           Time
      197295000   394590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32170e+03    2.33846e+04    1.63541e+04    1.48663e+03   -4.26021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18200e+03    1.45358e+05    2.77296e+05   -1.78160e+04   -2.19563e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21605e+04   -1.72616e+06    3.49655e+05   -1.37651e+06    1.93662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09610e+02   -2.18172e+02    1.32943e+02    3.51496e-06

           Step           Time
      197300000   394600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37470e+03    2.34920e+04    1.63613e+04    1.41084e+03   -4.25848e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08870e+03    1.45462e+05    2.77403e+05   -1.78757e+04   -2.19546e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21065e+04   -1.72590e+06    3.51283e+05   -1.37461e+06    1.93666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11052e+02   -2.19635e+02    1.52481e+02    3.54115e-06

           Step           Time
      197305000   394610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15521e+03    2.35587e+04    1.64825e+04    1.31754e+03   -4.27996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02172e+03    1.45402e+05    2.71344e+05   -1.78462e+04   -2.19017e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21688e+04   -1.72684e+06    3.48654e+05   -1.37819e+06    1.93674e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08724e+02   -2.18910e+02   -9.55625e+01    3.57226e-06

           Step           Time
      197310000   394620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57037e+03    2.37226e+04    1.64373e+04    1.35699e+03   -4.25919e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16900e+03    1.45067e+05    2.75933e+05   -1.78622e+04   -2.19251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23467e+04   -1.72402e+06    3.50082e+05   -1.37394e+06    1.93686e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09988e+02   -2.19304e+02    1.13855e+02    3.76974e-06

           Step           Time
      197315000   394630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15435e+03    2.39391e+04    1.60966e+04    1.36956e+03   -4.22387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.94861e+03    1.44630e+05    2.73978e+05   -1.78445e+04   -2.19191e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21198e+04   -1.72674e+06    3.50514e+05   -1.37623e+06    1.93691e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10371e+02   -2.18870e+02   -6.27798e+01    3.45409e-06

           Step           Time
      197320000   394640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10549e+03    2.35230e+04    1.64766e+04    1.51149e+03   -4.23342e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02351e+03    1.45276e+05    2.72712e+05   -1.77992e+04   -2.18909e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23447e+04   -1.72415e+06    3.50438e+05   -1.37371e+06    1.93701e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10303e+02   -2.17760e+02   -3.12348e+01    3.69716e-06

           Step           Time
      197325000   394650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20711e+03    2.36637e+04    1.63976e+04    1.37705e+03   -4.20523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09825e+03    1.44925e+05    2.73689e+05   -1.78250e+04   -2.19078e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21023e+04   -1.72535e+06    3.49306e+05   -1.37604e+06    1.93707e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09301e+02   -2.18392e+02    5.63822e+01    3.52796e-06

           Step           Time
      197330000   394660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46560e+03    2.35934e+04    1.62724e+04    1.40124e+03   -4.28453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08012e+03    1.45222e+05    2.71664e+05   -1.78241e+04   -2.18996e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21533e+04   -1.72622e+06    3.49160e+05   -1.37706e+06    1.93718e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09171e+02   -2.18369e+02   -1.21073e+02    3.47243e-06

           Step           Time
      197335000   394670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48269e+03    2.38778e+04    1.64375e+04    1.40479e+03   -4.31249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10655e+03    1.44565e+05    2.71986e+05   -1.78159e+04   -2.18575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22627e+04   -1.72176e+06    3.49980e+05   -1.37178e+06    1.93727e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09897e+02   -2.18169e+02   -7.97788e+01    3.59464e-06

           Step           Time
      197340000   394680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51941e+03    2.37976e+04    1.63673e+04    1.41721e+03   -4.25501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09449e+03    1.45199e+05    2.74621e+05   -1.78146e+04   -2.19180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20883e+04   -1.72476e+06    3.50179e+05   -1.37459e+06    1.93735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10074e+02   -2.18136e+02    1.95796e+01    3.58849e-06

           Step           Time
      197345000   394690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32523e+03    2.40652e+04    1.65031e+04    1.41458e+03   -4.28303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05835e+03    1.45603e+05    2.75006e+05   -1.78490e+04   -2.19143e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20725e+04   -1.72352e+06    3.51134e+05   -1.37238e+06    1.93740e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10919e+02   -2.18980e+02    1.34515e+01    3.60159e-06

           Step           Time
      197350000   394700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30073e+03    2.33659e+04    1.62926e+04    1.41875e+03   -4.27676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10956e+03    1.45025e+05    2.76580e+05   -1.78813e+04   -2.19464e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21775e+04   -1.72653e+06    3.48822e+05   -1.37771e+06    1.93752e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08872e+02   -2.19772e+02    1.27254e+02    3.57707e-06

           Step           Time
      197355000   394710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53982e+03    2.30686e+04    1.62090e+04    1.40691e+03   -4.19237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13384e+03    1.45610e+05    2.74690e+05   -1.78381e+04   -2.19454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21266e+04   -1.72779e+06    3.49236e+05   -1.37855e+06    1.93761e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09239e+02   -2.18713e+02   -5.73220e+01    3.60592e-06

           Step           Time
      197360000   394720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45708e+03    2.36648e+04    1.64596e+04    1.41016e+03   -4.26938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18215e+03    1.45102e+05    2.73672e+05   -1.78175e+04   -2.19077e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20854e+04   -1.72482e+06    3.50264e+05   -1.37456e+06    1.93766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10149e+02   -2.18209e+02   -3.32132e+01    3.54270e-06

           Step           Time
      197365000   394730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33659e+03    2.37213e+04    1.64391e+04    1.41282e+03   -4.28154e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08044e+03    1.44759e+05    2.72143e+05   -1.78230e+04   -2.18923e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21828e+04   -1.72526e+06    3.47852e+05   -1.37740e+06    1.93777e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08014e+02   -2.18342e+02   -6.31259e+01    3.46302e-06

           Step           Time
      197370000   394740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.11093e+03    2.33558e+04    1.63089e+04    1.34341e+03   -4.15297e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11943e+03    1.45453e+05    2.77912e+05   -1.78115e+04   -2.19433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23688e+04   -1.72432e+06    3.50227e+05   -1.37409e+06    1.93783e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10116e+02   -2.18061e+02    1.27735e+02    3.45914e-06

           Step           Time
      197375000   394750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32183e+03    2.35811e+04    1.64311e+04    1.36038e+03   -4.23548e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11770e+03    1.45034e+05    2.75008e+05   -1.78365e+04   -2.19189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21245e+04   -1.72498e+06    3.49537e+05   -1.37545e+06    1.93790e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09505e+02   -2.18674e+02    2.05536e+01    3.59452e-06

           Step           Time
      197380000   394760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34215e+03    2.36336e+04    1.62192e+04    1.37128e+03   -4.13703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04403e+03    1.45365e+05    2.72396e+05   -1.79046e+04   -2.19171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20836e+04   -1.72730e+06    3.51596e+05   -1.37570e+06    1.93797e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11328e+02   -2.20345e+02    5.50982e+00    3.60460e-06

           Step           Time
      197385000   394770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27270e+03    2.34460e+04    1.62959e+04    1.36233e+03   -4.26521e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04638e+03    1.45372e+05    2.74006e+05   -1.77948e+04   -2.19291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22809e+04   -1.72689e+06    3.50193e+05   -1.37670e+06    1.93808e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10086e+02   -2.17652e+02   -1.03826e+02    3.60769e-06

           Step           Time
      197390000   394780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37995e+03    2.30829e+04    1.61172e+04    1.45470e+03   -4.22784e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22881e+03    1.45568e+05    2.73341e+05   -1.78874e+04   -2.19369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22543e+04   -1.72838e+06    3.48897e+05   -1.37948e+06    1.93815e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08939e+02   -2.19921e+02   -4.78953e+01    3.54439e-06

           Step           Time
      197395000   394790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23928e+03    2.39309e+04    1.63105e+04    1.44909e+03   -4.25061e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20227e+03    1.45113e+05    2.72572e+05   -1.78424e+04   -2.18917e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22917e+04   -1.72415e+06    3.50086e+05   -1.37406e+06    1.93826e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09991e+02   -2.18817e+02    2.33723e+01    3.57999e-06

           Step           Time
      197400000   394800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38610e+03    2.36763e+04    1.63577e+04    1.37103e+03   -4.19639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15978e+03    1.45360e+05    2.74448e+05   -1.78272e+04   -2.19104e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22752e+04   -1.72403e+06    3.48230e+05   -1.37580e+06    1.93836e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08348e+02   -2.18445e+02    3.79554e+01    3.45773e-06

           Step           Time
      197405000   394810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47602e+03    2.34924e+04    1.62715e+04    1.49291e+03   -4.18436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09465e+03    1.45048e+05    2.73312e+05   -1.78447e+04   -2.19090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22060e+04   -1.72553e+06    3.48722e+05   -1.37681e+06    1.93842e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08784e+02   -2.18874e+02   -4.93659e+01    3.56923e-06

           Step           Time
      197410000   394820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31249e+03    2.36159e+04    1.62565e+04    1.38815e+03   -4.22432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07407e+03    1.45482e+05    2.72837e+05   -1.78722e+04   -2.19006e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21091e+04   -1.72508e+06    3.51382e+05   -1.37370e+06    1.93848e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.19548e+02    1.99904e+01    3.55210e-06

           Step           Time
      197415000   394830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32247e+03    2.34284e+04    1.63937e+04    1.36824e+03   -4.16988e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04363e+03    1.45561e+05    2.73473e+05   -1.78164e+04   -2.19184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22529e+04   -1.72598e+06    3.49108e+05   -1.37687e+06    1.93860e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09125e+02   -2.18182e+02   -9.00403e+01    3.46696e-06

           Step           Time
      197420000   394840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44248e+03    2.40114e+04    1.60940e+04    1.40811e+03   -4.10793e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25011e+03    1.44932e+05    2.73866e+05   -1.78277e+04   -2.18804e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22678e+04   -1.72170e+06    3.50867e+05   -1.37083e+06    1.93872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10683e+02   -2.18458e+02    5.31979e+01    3.44542e-06

           Step           Time
      197425000   394850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44419e+03    2.40884e+04    1.62430e+04    1.45947e+03   -4.24610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10461e+03    1.44475e+05    2.73729e+05   -1.77988e+04   -2.18700e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23807e+04   -1.72112e+06    3.50095e+05   -1.37103e+06    1.93876e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09999e+02   -2.17752e+02    6.15801e+01    3.52196e-06

           Step           Time
      197430000   394860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62539e+03    2.39012e+04    1.62324e+04    1.38492e+03   -4.09381e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11637e+03    1.44616e+05    2.71037e+05   -1.78254e+04   -2.18673e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23109e+04   -1.72342e+06    3.50439e+05   -1.37298e+06    1.93886e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10304e+02   -2.18401e+02   -1.15675e+02    3.60107e-06

           Step           Time
      197435000   394870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.60080e+03    2.37901e+04    1.62308e+04    1.32471e+03   -4.13191e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07962e+03    1.44747e+05    2.75079e+05   -1.78196e+04   -2.19217e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22386e+04   -1.72503e+06    3.49193e+05   -1.37584e+06    1.93891e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09200e+02   -2.18260e+02   -4.82853e+01    3.53575e-06

           Step           Time
      197440000   394880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25463e+03    2.32154e+04    1.64198e+04    1.38456e+03   -4.27767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22558e+03    1.45278e+05    2.74649e+05   -1.78392e+04   -2.19266e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20542e+04   -1.72630e+06    3.47318e+05   -1.37898e+06    1.93903e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07541e+02   -2.18739e+02   -2.71380e+01    3.49840e-06

           Step           Time
      197445000   394890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15744e+03    2.35495e+04    1.63483e+04    1.46721e+03   -4.23733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18225e+03    1.45496e+05    2.76335e+05   -1.78662e+04   -2.19609e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20231e+04   -1.72763e+06    3.51057e+05   -1.37657e+06    1.93912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.19402e+02    9.47010e+01    3.55713e-06

Writing checkpoint, step 197448200 at Tue Jun 11 11:24:11 2024


           Step           Time
      197450000   394900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58386e+03    2.37442e+04    1.64700e+04    1.33375e+03   -4.20344e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98306e+03    1.44452e+05    2.74367e+05   -1.78349e+04   -2.19206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21822e+04   -1.72598e+06    3.50366e+05   -1.37562e+06    1.93922e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10239e+02   -2.18633e+02   -3.76696e+01    3.50136e-06

           Step           Time
      197455000   394910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59867e+03    2.36210e+04    1.62474e+04    1.45052e+03   -4.35432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15979e+03    1.45014e+05    2.75772e+05   -1.78280e+04   -2.19215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22850e+04   -1.72419e+06    3.50789e+05   -1.37340e+06    1.93931e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10614e+02   -2.18464e+02    9.37221e+01    3.54160e-06

           Step           Time
      197460000   394920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47646e+03    2.39109e+04    1.62432e+04    1.37174e+03   -4.31383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11131e+03    1.45167e+05    2.74952e+05   -1.78499e+04   -2.19051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22919e+04   -1.72315e+06    3.48648e+05   -1.37450e+06    1.93942e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08718e+02   -2.19002e+02    6.32064e+01    3.49331e-06

           Step           Time
      197465000   394930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52909e+03    2.41265e+04    1.63476e+04    1.37520e+03   -4.26136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15443e+03    1.44952e+05    2.74450e+05   -1.78188e+04   -2.19166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23943e+04   -1.72441e+06    3.51534e+05   -1.37287e+06    1.93953e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11274e+02   -2.18240e+02    1.74130e+01    3.54649e-06

           Step           Time
      197470000   394940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61707e+03    2.32917e+04    1.61472e+04    1.45755e+03   -4.36956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18465e+03    1.45587e+05    2.77405e+05   -1.78355e+04   -2.19643e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21747e+04   -1.72677e+06    3.50084e+05   -1.37669e+06    1.93955e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09990e+02   -2.18648e+02    7.93768e+01    3.51463e-06

           Step           Time
      197475000   394950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57288e+03    2.31947e+04    1.63918e+04    1.32393e+03   -4.12182e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07023e+03    1.45155e+05    2.75621e+05   -1.78016e+04   -2.19309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21066e+04   -1.72558e+06    3.50627e+05   -1.37495e+06    1.93963e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10470e+02   -2.17821e+02   -1.93688e+01    3.48245e-06

           Step           Time
      197480000   394960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33029e+03    2.40941e+04    1.61362e+04    1.43276e+03   -4.30255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23573e+03    1.45503e+05    2.74669e+05   -1.78524e+04   -2.19200e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22006e+04   -1.72455e+06    3.52068e+05   -1.37248e+06    1.93974e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11747e+02   -2.19062e+02    3.17001e+01    3.57524e-06

           Step           Time
      197485000   394970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17847e+03    2.33107e+04    1.63087e+04    1.29880e+03   -4.20730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26260e+03    1.45540e+05    2.75339e+05   -1.78404e+04   -2.19441e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23679e+04   -1.72685e+06    3.50480e+05   -1.37637e+06    1.93981e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10341e+02   -2.18769e+02    5.72519e+01    3.52414e-06

           Step           Time
      197490000   394980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46119e+03    2.39685e+04    1.64248e+04    1.35284e+03   -4.24862e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08064e+03    1.45547e+05    2.75722e+05   -1.78119e+04   -2.19113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22567e+04   -1.72237e+06    3.50109e+05   -1.37226e+06    1.93993e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10012e+02   -2.18071e+02    4.58705e+01    3.47930e-06

           Step           Time
      197495000   394990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31075e+03    2.39737e+04    1.63773e+04    1.51630e+03   -4.19842e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13307e+03    1.45760e+05    2.73786e+05   -1.78495e+04   -2.19296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22663e+04   -1.72588e+06    3.50957e+05   -1.37493e+06    1.93999e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10762e+02   -2.18991e+02    1.87452e+01    3.46497e-06

           Step           Time
      197500000   395000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32017e+03    2.35311e+04    1.62877e+04    1.42802e+03   -4.22426e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15337e+03    1.45244e+05    2.72349e+05   -1.78332e+04   -2.18962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22780e+04   -1.72509e+06    3.48003e+05   -1.37709e+06    1.94003e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08147e+02   -2.18593e+02   -6.65145e+01    3.55220e-06

           Step           Time
      197505000   395010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38003e+03    2.34938e+04    1.63049e+04    1.43474e+03   -4.20553e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21693e+03    1.45277e+05    2.74222e+05   -1.78453e+04   -2.19259e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23293e+04   -1.72598e+06    3.49116e+05   -1.37687e+06    1.94014e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09132e+02   -2.18889e+02    4.05520e+01    3.39257e-06

           Step           Time
      197510000   395020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29001e+03    2.37533e+04    1.63475e+04    1.42941e+03   -4.31482e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11201e+03    1.44926e+05    2.72613e+05   -1.78154e+04   -2.19005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21770e+04   -1.72553e+06    3.50554e+05   -1.37498e+06    1.94017e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10405e+02   -2.18157e+02   -2.55602e+01    3.44155e-06

           Step           Time
      197515000   395030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24892e+03    2.32725e+04    1.60903e+04    1.32371e+03   -4.18915e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07061e+03    1.45519e+05    2.76844e+05   -1.78725e+04   -2.19514e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23048e+04   -1.72653e+06    3.49513e+05   -1.37702e+06    1.94028e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09484e+02   -2.19556e+02    7.86294e+01    3.50953e-06

           Step           Time
      197520000   395040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31308e+03    2.38616e+04    1.63989e+04    1.39577e+03   -4.29218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17520e+03    1.45364e+05    2.72999e+05   -1.78650e+04   -2.18969e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.72426e+06    3.51123e+05   -1.37314e+06    1.94034e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10909e+02   -2.19371e+02    7.32213e+01    3.50279e-06

           Step           Time
      197525000   395050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.66814e+03    2.39759e+04    1.64309e+04    1.34860e+03   -4.32789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20304e+03    1.44981e+05    2.74430e+05   -1.78279e+04   -2.19177e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23510e+04   -1.72454e+06    3.50999e+05   -1.37354e+06    1.94049e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.18463e+02    5.63188e+01    3.44191e-06

           Step           Time
      197530000   395060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49040e+03    2.39970e+04    1.63727e+04    1.40342e+03   -4.32016e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96133e+03    1.44956e+05    2.74418e+05   -1.78466e+04   -2.19395e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23091e+04   -1.72721e+06    3.49985e+05   -1.37722e+06    1.94054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09902e+02   -2.18922e+02   -1.11640e+02    3.29330e-06

           Step           Time
      197535000   395070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.06836e+03    2.34966e+04    1.61840e+04    1.41918e+03   -4.29107e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11509e+03    1.45304e+05    2.73467e+05   -1.78263e+04   -2.19133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21602e+04   -1.72623e+06    3.50406e+05   -1.37582e+06    1.94054e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10274e+02   -2.18423e+02   -4.70436e+01    3.45905e-06

           Step           Time
      197540000   395080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36445e+03    2.34766e+04    1.63715e+04    1.39934e+03   -4.28792e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16758e+03    1.45441e+05    2.73158e+05   -1.78053e+04   -2.19119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21733e+04   -1.72573e+06    3.51412e+05   -1.37432e+06    1.94064e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11166e+02   -2.17910e+02   -7.03997e+01    3.52604e-06

           Step           Time
      197545000   395090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24600e+03    2.38313e+04    1.63798e+04    1.45472e+03   -4.26976e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11866e+03    1.45179e+05    2.76057e+05   -1.78291e+04   -2.19367e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22966e+04   -1.72520e+06    3.49473e+05   -1.37573e+06    1.94074e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09449e+02   -2.18492e+02    3.07696e+01    3.51955e-06

           Step           Time
      197550000   395100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38681e+03    2.36861e+04    1.62180e+04    1.47384e+03   -4.22989e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12218e+03    1.45121e+05    2.74508e+05   -1.78356e+04   -2.19113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20146e+04   -1.72466e+06    3.49529e+05   -1.37513e+06    1.94081e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09498e+02   -2.18652e+02    5.12900e+01    3.53408e-06

           Step           Time
      197555000   395110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28461e+03    2.36925e+04    1.62734e+04    1.37629e+03   -4.09789e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07234e+03    1.45383e+05    2.75656e+05   -1.78719e+04   -2.19369e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21432e+04   -1.72578e+06    3.49704e+05   -1.37607e+06    1.94091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09654e+02   -2.19542e+02    1.22462e+02    3.53461e-06

           Step           Time
      197560000   395120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49409e+03    2.34402e+04    1.63263e+04    1.41428e+03   -4.39524e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17201e+03    1.45700e+05    2.73370e+05   -1.78505e+04   -2.19138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22997e+04   -1.72541e+06    3.49688e+05   -1.37573e+06    1.94093e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09639e+02   -2.19016e+02   -1.53556e+01    3.49889e-06

           Step           Time
      197565000   395130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38718e+03    2.35997e+04    1.61693e+04    1.36308e+03   -3.98301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18680e+03    1.45253e+05    2.72584e+05   -1.78286e+04   -2.18978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22184e+04   -1.72483e+06    3.49777e+05   -1.37505e+06    1.94103e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09718e+02   -2.18480e+02   -2.90588e+01    3.48228e-06

           Step           Time
      197570000   395140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53094e+03    2.39513e+04    1.62081e+04    1.34990e+03   -4.26612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20831e+03    1.45218e+05    2.71199e+05   -1.77693e+04   -2.18530e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22862e+04   -1.72138e+06    3.50500e+05   -1.37088e+06    1.94115e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10358e+02   -2.17030e+02   -6.67945e+01    3.45050e-06

           Step           Time
      197575000   395150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31009e+03    2.39723e+04    1.62664e+04    1.38320e+03   -4.26382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99441e+03    1.45048e+05    2.73354e+05   -1.78340e+04   -2.19314e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22134e+04   -1.72770e+06    3.49034e+05   -1.37866e+06    1.94123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09060e+02   -2.18612e+02   -7.15864e+01    3.42796e-06

           Step           Time
      197580000   395160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15039e+03    2.37960e+04    1.64513e+04    1.44134e+03   -4.31068e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13394e+03    1.45448e+05    2.75103e+05   -1.78038e+04   -2.19166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22202e+04   -1.72403e+06    3.50285e+05   -1.37375e+06    1.94129e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10167e+02   -2.17873e+02    7.70238e+01    3.42143e-06

           Step           Time
      197585000   395170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33490e+03    2.37670e+04    1.62809e+04    1.50588e+03   -4.26248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08375e+03    1.45163e+05    2.70779e+05   -1.77922e+04   -2.18800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24345e+04   -1.72470e+06    3.50730e+05   -1.37397e+06    1.94139e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10562e+02   -2.17589e+02   -1.38277e+02    3.51748e-06

           Step           Time
      197590000   395180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30925e+03    2.39252e+04    1.62613e+04    1.38650e+03   -4.16689e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98408e+03    1.45258e+05    2.73015e+05   -1.78411e+04   -2.19072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22729e+04   -1.72531e+06    3.51086e+05   -1.37423e+06    1.94144e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10877e+02   -2.18787e+02   -3.52118e+01    3.63486e-06

           Step           Time
      197595000   395190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69237e+03    2.33768e+04    1.62768e+04    1.31753e+03   -4.15775e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02300e+03    1.45255e+05    2.74322e+05   -1.77817e+04   -2.19050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21985e+04   -1.72398e+06    3.50414e+05   -1.37356e+06    1.94151e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10282e+02   -2.17333e+02   -7.09812e+01    3.54590e-06

           Step           Time
      197600000   395200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57706e+03    2.38730e+04    1.64725e+04    1.38470e+03   -4.28314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11178e+03    1.45516e+05    2.74672e+05   -1.78436e+04   -2.19379e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22464e+04   -1.72607e+06    3.51764e+05   -1.37430e+06    1.94164e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11478e+02   -2.18847e+02    2.07910e+01    3.49882e-06

           Step           Time
      197605000   395210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52944e+03    2.34371e+04    1.65579e+04    1.41998e+03   -4.24657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06032e+03    1.45018e+05    2.74713e+05   -1.78254e+04   -2.19112e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21474e+04   -1.72431e+06    3.52036e+05   -1.37228e+06    1.94169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11718e+02   -2.18402e+02    1.54728e+01    3.53415e-06

           Step           Time
      197610000   395220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41564e+03    2.35645e+04    1.62110e+04    1.36221e+03   -4.23152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16944e+03    1.45041e+05    2.74989e+05   -1.78616e+04   -2.19427e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20122e+04   -1.72760e+06    3.49208e+05   -1.37839e+06    1.94180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09214e+02   -2.19288e+02   -2.95084e+01    3.45446e-06

           Step           Time
      197615000   395230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25561e+03    2.35727e+04    1.60955e+04    1.32676e+03   -4.20092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20133e+03    1.45324e+05    2.76552e+05   -1.78656e+04   -2.19661e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21245e+04   -1.72823e+06    3.50115e+05   -1.37811e+06    1.94183e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10017e+02   -2.19387e+02    6.43087e+01    3.67467e-06

           Step           Time
      197620000   395240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12360e+03    2.31912e+04    1.63439e+04    1.38749e+03   -4.25051e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16152e+03    1.45480e+05    2.74370e+05   -1.78210e+04   -2.19215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20389e+04   -1.72613e+06    3.51407e+05   -1.37472e+06    1.94189e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11161e+02   -2.18293e+02    3.93219e-01    3.53322e-06

           Step           Time
      197625000   395250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40313e+03    2.31466e+04    1.63762e+04    1.43281e+03   -4.15607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15513e+03    1.45818e+05    2.73790e+05   -1.77846e+04   -2.19340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24874e+04   -1.72673e+06    3.48975e+05   -1.37775e+06    1.94202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09007e+02   -2.17404e+02   -8.05012e+01    3.34082e-06

           Step           Time
      197630000   395260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34762e+03    2.36047e+04    1.64709e+04    1.44364e+03   -4.28931e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23604e+03    1.45678e+05    2.74012e+05   -1.78373e+04   -2.19216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22976e+04   -1.72519e+06    3.49798e+05   -1.37540e+06    1.94207e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09736e+02   -2.18693e+02   -4.98290e+01    3.61090e-06

           Step           Time
      197635000   395270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25229e+03    2.39106e+04    1.60822e+04    1.30652e+03   -4.19970e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31962e+03    1.45345e+05    2.72895e+05   -1.78355e+04   -2.19086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22323e+04   -1.72555e+06    3.51092e+05   -1.37446e+06    1.94213e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10882e+02   -2.18649e+02   -6.68480e+01    3.57727e-06

           Step           Time
      197640000   395280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41507e+03    2.31968e+04    1.64092e+04    1.42868e+03   -4.41650e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07622e+03    1.45690e+05    2.74773e+05   -1.78141e+04   -2.19405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21283e+04   -1.72717e+06    3.51193e+05   -1.37597e+06    1.94219e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10971e+02   -2.18125e+02   -2.00991e+01    3.48920e-06

           Step           Time
      197645000   395290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23909e+03    2.36166e+04    1.63889e+04    1.39893e+03   -4.35986e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16551e+03    1.45344e+05    2.74775e+05   -1.78151e+04   -2.19154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21465e+04   -1.72464e+06    3.50690e+05   -1.37395e+06    1.94225e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10527e+02   -2.18149e+02    1.73004e+01    3.47150e-06

           Step           Time
      197650000   395300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37490e+03    2.37944e+04    1.64401e+04    1.56077e+03   -4.41736e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.29552e+03    1.45062e+05    2.75935e+05   -1.78518e+04   -2.19222e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21723e+04   -1.72385e+06    3.50381e+05   -1.37347e+06    1.94239e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10253e+02   -2.19049e+02    1.57011e+02    3.49995e-06

           Step           Time
      197655000   395310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14433e+03    2.35733e+04    1.63532e+04    1.38182e+03   -4.34436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21727e+03    1.45198e+05    2.72964e+05   -1.78084e+04   -2.19153e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21685e+04   -1.72668e+06    3.48984e+05   -1.37770e+06    1.94246e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09016e+02   -2.17986e+02   -5.44959e+01    3.53286e-06

           Step           Time
      197660000   395320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22104e+03    2.36520e+04    1.64221e+04    1.38853e+03   -4.33754e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14752e+03    1.45185e+05    2.71496e+05   -1.78069e+04   -2.18924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22639e+04   -1.72561e+06    3.49616e+05   -1.37600e+06    1.94252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09575e+02   -2.17950e+02   -1.45802e+02    3.33811e-06

           Step           Time
      197665000   395330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38533e+03    2.40080e+04    1.60966e+04    1.43753e+03   -4.25041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12434e+03    1.45154e+05    2.72160e+05   -1.78121e+04   -2.18932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21569e+04   -1.72486e+06    3.48145e+05   -1.37671e+06    1.94265e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08273e+02   -2.18075e+02   -5.33383e+01    3.50624e-06

           Step           Time
      197670000   395340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26917e+03    2.37327e+04    1.63816e+04    1.33397e+03   -4.31994e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14808e+03    1.44767e+05    2.74387e+05   -1.78287e+04   -2.19106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22909e+04   -1.72489e+06    3.50105e+05   -1.37479e+06    1.94267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10009e+02   -2.18482e+02    3.51380e+01    3.49855e-06

           Step           Time
      197675000   395350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27957e+03    2.39441e+04    1.63459e+04    1.36500e+03   -4.28542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09308e+03    1.44900e+05    2.73652e+05   -1.78547e+04   -2.19123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22127e+04   -1.72558e+06    3.50364e+05   -1.37522e+06    1.94276e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10237e+02   -2.19119e+02   -1.50841e+01    3.44839e-06

           Step           Time
      197680000   395360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10232e+03    2.37216e+04    1.63142e+04    1.43564e+03   -4.29184e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12457e+03    1.45270e+05    2.77135e+05   -1.78866e+04   -2.19676e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21390e+04   -1.72769e+06    3.51183e+05   -1.37651e+06    1.94281e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10963e+02   -2.19902e+02    1.86758e+02    3.54596e-06

           Step           Time
      197685000   395370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43074e+03    2.35579e+04    1.63220e+04    1.37905e+03   -4.34373e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13958e+03    1.45216e+05    2.73631e+05   -1.78415e+04   -2.19220e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22124e+04   -1.72650e+06    3.49813e+05   -1.37669e+06    1.94291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09750e+02   -2.18796e+02   -1.01619e+02    3.47122e-06

           Step           Time
      197690000   395380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18189e+03    2.39033e+04    1.63765e+04    1.38007e+03   -4.27371e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08376e+03    1.45257e+05    2.74331e+05   -1.78110e+04   -2.19098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22647e+04   -1.72429e+06    3.50480e+05   -1.37381e+06    1.94296e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10340e+02   -2.18050e+02    5.70049e+01    3.53230e-06

           Step           Time
      197695000   395390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26179e+03    2.35772e+04    1.64338e+04    1.47457e+03   -4.29174e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10460e+03    1.44785e+05    2.72475e+05   -1.78217e+04   -2.18958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22325e+04   -1.72535e+06    3.50388e+05   -1.37496e+06    1.94301e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10259e+02   -2.18312e+02   -6.91326e+01    3.53431e-06

           Step           Time
      197700000   395400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.68931e+03    2.33242e+04    1.64631e+04    1.44725e+03   -4.33218e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10109e+03    1.45291e+05    2.73659e+05   -1.78583e+04   -2.18912e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21958e+04   -1.72314e+06    3.49959e+05   -1.37318e+06    1.94312e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09879e+02   -2.19209e+02   -9.34945e+00    3.43486e-06

           Step           Time
      197705000   395410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44786e+03    2.37368e+04    1.62952e+04    1.46740e+03   -4.26692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16523e+03    1.45000e+05    2.73699e+05   -1.77979e+04   -2.19092e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21662e+04   -1.72501e+06    3.51034e+05   -1.37397e+06    1.94317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10831e+02   -2.17729e+02   -3.31972e+01    3.46513e-06

           Step           Time
      197710000   395420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39948e+03    2.33530e+04    1.63742e+04    1.34698e+03   -4.32263e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07688e+03    1.45202e+05    2.75490e+05   -1.78354e+04   -2.19424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22766e+04   -1.72688e+06    3.50447e+05   -1.37644e+06    1.94326e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10311e+02   -2.18646e+02    1.43392e+01    3.63943e-06

           Step           Time
      197715000   395430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44504e+03    2.34250e+04    1.62581e+04    1.42591e+03   -4.16608e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30186e+03    1.45027e+05    2.74320e+05   -1.78406e+04   -2.19224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21549e+04   -1.72589e+06    3.49700e+05   -1.37619e+06    1.94333e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09650e+02   -2.18774e+02   -3.95817e+01    3.45029e-06

           Step           Time
      197720000   395440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28399e+03    2.38580e+04    1.64560e+04    1.49422e+03   -4.38782e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13466e+03    1.44865e+05    2.72720e+05   -1.78459e+04   -2.18729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21928e+04   -1.72252e+06    3.50434e+05   -1.37209e+06    1.94342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10299e+02   -2.18903e+02    2.60537e+01    3.48209e-06

           Step           Time
      197725000   395450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33912e+03    2.33185e+04    1.62761e+04    1.34319e+03   -4.25472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01547e+03    1.45347e+05    2.73775e+05   -1.78252e+04   -2.19435e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20955e+04   -1.72892e+06    3.49222e+05   -1.37970e+06    1.94351e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09227e+02   -2.18397e+02   -8.89799e+01    3.39593e-06

           Step           Time
      197730000   395460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32289e+03    2.40707e+04    1.62750e+04    1.37798e+03   -4.39041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98587e+03    1.45444e+05    2.74086e+05   -1.78243e+04   -2.19239e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24107e+04   -1.72564e+06    3.49425e+05   -1.37621e+06    1.94359e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09406e+02   -2.18375e+02   -6.81214e+01    3.38309e-06

           Step           Time
      197735000   395470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52512e+03    2.39257e+04    1.63275e+04    1.32188e+03   -4.26820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25181e+03    1.44731e+05    2.74438e+05   -1.78187e+04   -2.19075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22641e+04   -1.72405e+06    3.50423e+05   -1.37362e+06    1.94364e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10290e+02   -2.18239e+02    1.42900e+01    3.52793e-06

           Step           Time
      197740000   395480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35951e+03    2.38557e+04    1.63480e+04    1.43463e+03   -4.29063e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11134e+03    1.45185e+05    2.75534e+05   -1.78359e+04   -2.19189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23084e+04   -1.72388e+06    3.50519e+05   -1.37337e+06    1.94375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10375e+02   -2.18658e+02    7.22057e+01    3.49483e-06

           Step           Time
      197745000   395490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59308e+03    2.33984e+04    1.66349e+04    1.41591e+03   -4.28545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06159e+03    1.45136e+05    2.74948e+05   -1.78893e+04   -2.19469e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21917e+04   -1.72749e+06    3.48403e+05   -1.37909e+06    1.94380e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08501e+02   -2.19968e+02    3.13001e+01    3.41710e-06

           Step           Time
      197750000   395500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29136e+03    2.36696e+04    1.63051e+04    1.38489e+03   -4.20877e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06147e+03    1.45201e+05    2.74502e+05   -1.78132e+04   -2.19356e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23637e+04   -1.72681e+06    3.50615e+05   -1.37619e+06    1.94389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10460e+02   -2.18104e+02   -2.15555e+01    3.42891e-06

           Step           Time
      197755000   395510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53591e+03    2.34114e+04    1.65390e+04    1.35745e+03   -4.32409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11558e+03    1.45267e+05    2.73176e+05   -1.78185e+04   -2.19065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21770e+04   -1.72522e+06    3.49127e+05   -1.37609e+06    1.94396e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09142e+02   -2.18232e+02   -9.39366e+01    3.57032e-06

           Step           Time
      197760000   395520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.65359e+03    2.37172e+04    1.62278e+04    1.34553e+03   -4.25607e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14464e+03    1.45319e+05    2.71972e+05   -1.78688e+04   -2.18916e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19833e+04   -1.72492e+06    3.49189e+05   -1.37573e+06    1.94410e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09197e+02   -2.19466e+02   -6.78946e+01    3.60193e-06

           Step           Time
      197765000   395530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35726e+03    2.36310e+04    1.63124e+04    1.41271e+03   -4.19692e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17456e+03    1.45824e+05    2.70218e+05   -1.78105e+04   -2.18932e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20752e+04   -1.72632e+06    3.51188e+05   -1.37513e+06    1.94411e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10967e+02   -2.18037e+02   -1.54309e+02    3.47161e-06

           Step           Time
      197770000   395540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23677e+03    2.33592e+04    1.62394e+04    1.44819e+03   -4.25770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11138e+03    1.45155e+05    2.73712e+05   -1.78216e+04   -2.19168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20979e+04   -1.72640e+06    3.50961e+05   -1.37544e+06    1.94417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10766e+02   -2.18308e+02   -1.69660e+01    3.70741e-06

           Step           Time
      197775000   395550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36498e+03    2.35075e+04    1.62118e+04    1.43194e+03   -4.20115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25052e+03    1.45501e+05    2.75697e+05   -1.78121e+04   -2.19208e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24022e+04   -1.72372e+06    3.48543e+05   -1.37518e+06    1.94433e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08625e+02   -2.18076e+02    6.53850e+01    3.49221e-06

           Step           Time
      197780000   395560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35128e+03    2.39284e+04    1.65131e+04    1.34849e+03   -4.37283e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05686e+03    1.45405e+05    2.72875e+05   -1.78553e+04   -2.19181e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21141e+04   -1.72645e+06    3.50278e+05   -1.37617e+06    1.94437e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10162e+02   -2.19134e+02   -3.82885e+01    3.50130e-06

           Step           Time
      197785000   395570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23063e+03    2.39671e+04    1.62349e+04    1.33781e+03   -4.21777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10907e+03    1.44746e+05    2.74819e+05   -1.78173e+04   -2.19145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21812e+04   -1.72486e+06    3.50318e+05   -1.37454e+06    1.94446e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10197e+02   -2.18205e+02    7.96284e+01    3.47248e-06

           Step           Time
      197790000   395580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41889e+03    2.35606e+04    1.62439e+04    1.39635e+03   -4.32554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09802e+03    1.45250e+05    2.72689e+05   -1.77739e+04   -2.19166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20893e+04   -1.72701e+06    3.49755e+05   -1.37726e+06    1.94451e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09698e+02   -2.17142e+02   -1.39789e+02    3.53671e-06

           Step           Time
      197795000   395590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22199e+03    2.36494e+04    1.62789e+04    1.26060e+03   -4.28777e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13799e+03    1.44997e+05    2.75703e+05   -1.78503e+04   -2.19437e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22185e+04   -1.72704e+06    3.51174e+05   -1.37587e+06    1.94458e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10955e+02   -2.19012e+02    1.14649e+02    3.41825e-06

           Step           Time
      197800000   395600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40186e+03    2.37002e+04    1.62860e+04    1.37313e+03   -4.26614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21888e+03    1.45247e+05    2.73500e+05   -1.78400e+04   -2.18867e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23010e+04   -1.72274e+06    3.49099e+05   -1.37365e+06    1.94477e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09117e+02   -2.18759e+02    6.46214e+01    3.53870e-06

           Step           Time
      197805000   395610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53177e+03    2.37281e+04    1.63327e+04    1.39674e+03   -4.29203e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98428e+03    1.44752e+05    2.73226e+05   -1.78338e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21513e+04   -1.72447e+06    3.51057e+05   -1.37342e+06    1.94477e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10851e+02   -2.18608e+02   -6.70396e+01    3.46933e-06

           Step           Time
      197810000   395620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45946e+03    2.34210e+04    1.62648e+04    1.39004e+03   -4.19627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09071e+03    1.45022e+05    2.76107e+05   -1.77842e+04   -2.19132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22500e+04   -1.72329e+06    3.50420e+05   -1.37287e+06    1.94483e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10287e+02   -2.17395e+02   -1.63507e+00    3.56084e-06

           Step           Time
      197815000   395630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14337e+03    2.34552e+04    1.61707e+04    1.42765e+03   -4.25255e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23075e+03    1.45689e+05    2.74641e+05   -1.78189e+04   -2.19106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22726e+04   -1.72410e+06    3.50477e+05   -1.37362e+06    1.94493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10338e+02   -2.18242e+02    7.77388e+01    3.52348e-06

           Step           Time
      197820000   395640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58056e+03    2.37690e+04    1.62670e+04    1.44809e+03   -4.23079e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15531e+03    1.45233e+05    2.69731e+05   -1.77824e+04   -2.18593e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21867e+04   -1.72358e+06    3.49864e+05   -1.37371e+06    1.94504e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09795e+02   -2.17351e+02   -2.18488e+02    3.51725e-06

           Step           Time
      197825000   395650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45578e+03    2.36281e+04    1.64012e+04    1.40353e+03   -4.33987e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05482e+03    1.44835e+05    2.73791e+05   -1.78840e+04   -2.19168e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22584e+04   -1.72608e+06    3.51940e+05   -1.37414e+06    1.94510e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11633e+02   -2.19839e+02    4.69993e+01    3.54252e-06

           Step           Time
      197830000   395660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32035e+03    2.41751e+04    1.62672e+04    1.34441e+03   -4.36131e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17093e+03    1.45309e+05    2.71320e+05   -1.78388e+04   -2.18885e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23038e+04   -1.72484e+06    3.50831e+05   -1.37401e+06    1.94521e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10651e+02   -2.18730e+02   -1.18223e+02    3.34867e-06

           Step           Time
      197835000   395670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09205e+03    2.34398e+04    1.63927e+04    1.36906e+03   -4.27804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26104e+03    1.45429e+05    2.73111e+05   -1.78443e+04   -2.19187e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23856e+04   -1.72651e+06    3.49081e+05   -1.37743e+06    1.94525e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09102e+02   -2.18866e+02    4.04708e+01    3.47286e-06

           Step           Time
      197840000   395680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39818e+03    2.34398e+04    1.62420e+04    1.42838e+03   -4.37027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13440e+03    1.45235e+05    2.74397e+05   -1.77897e+04   -2.19150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22145e+04   -1.72517e+06    3.50309e+05   -1.37486e+06    1.94536e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10189e+02   -2.17529e+02   -8.45317e+01    3.49928e-06

           Step           Time
      197845000   395690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.66218e+03    2.37723e+04    1.66441e+04    1.42613e+03   -4.39272e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16994e+03    1.45141e+05    2.73530e+05   -1.78216e+04   -2.18783e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21546e+04   -1.72154e+06    3.49985e+05   -1.37155e+06    1.94544e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09902e+02   -2.18309e+02    1.56771e+01    3.69302e-06

           Step           Time
      197850000   395700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36358e+03    2.36494e+04    1.63217e+04    1.41205e+03   -4.32629e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19355e+03    1.45349e+05    2.73489e+05   -1.78363e+04   -2.18982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23107e+04   -1.72390e+06    3.51018e+05   -1.37288e+06    1.94550e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10816e+02   -2.18668e+02    7.16662e+00    3.54388e-06

           Step           Time
      197855000   395710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54724e+03    2.34493e+04    1.64327e+04    1.38705e+03   -4.28084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08869e+03    1.45539e+05    2.74057e+05   -1.78589e+04   -2.19296e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21466e+04   -1.72645e+06    3.50913e+05   -1.37554e+06    1.94555e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10724e+02   -2.19223e+02   -2.48881e+01    3.41378e-06

           Step           Time
      197860000   395720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35362e+03    2.39225e+04    1.61427e+04    1.42908e+03   -4.31542e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15307e+03    1.44813e+05    2.71751e+05   -1.78053e+04   -2.18831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20843e+04   -1.72479e+06    3.50978e+05   -1.37381e+06    1.94565e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10781e+02   -2.17909e+02   -1.34718e+02    3.44997e-06

           Step           Time
      197865000   395730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17189e+03    2.37355e+04    1.62866e+04    1.51558e+03   -4.32324e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11480e+03    1.45391e+05    2.73612e+05   -1.78014e+04   -2.18943e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23152e+04   -1.72341e+06    3.49076e+05   -1.37433e+06    1.94579e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09097e+02   -2.17814e+02    4.93607e+01    3.50225e-06

           Step           Time
      197870000   395740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40397e+03    2.33593e+04    1.63899e+04    1.46214e+03   -4.27002e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12814e+03    1.45563e+05    2.74956e+05   -1.77497e+04   -2.19237e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23612e+04   -1.72477e+06    3.48865e+05   -1.37590e+06    1.94591e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08910e+02   -2.16552e+02   -3.95973e+01    3.49707e-06

           Step           Time
      197875000   395750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17884e+03    2.39038e+04    1.63638e+04    1.41249e+03   -4.20123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24192e+03    1.45480e+05    2.73395e+05   -1.78168e+04   -2.19072e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20810e+04   -1.72468e+06    3.47690e+05   -1.37699e+06    1.94598e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07870e+02   -2.18191e+02    2.26467e+01    3.39946e-06

           Step           Time
      197880000   395760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21889e+03    2.36229e+04    1.64366e+04    1.53891e+03   -4.29452e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23694e+03    1.46098e+05    2.75044e+05   -1.78470e+04   -2.19339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21468e+04   -1.72519e+06    3.50907e+05   -1.37428e+06    1.94602e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10718e+02   -2.18931e+02    1.05683e+02    3.51370e-06

           Step           Time
      197885000   395770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15018e+03    2.39986e+04    1.63899e+04    1.39909e+03   -4.29181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10590e+03    1.45356e+05    2.75090e+05   -1.78695e+04   -2.19303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22806e+04   -1.72542e+06    3.50006e+05   -1.37542e+06    1.94612e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09921e+02   -2.19483e+02    7.71259e+01    3.55235e-06

           Step           Time
      197890000   395780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12776e+03    2.41501e+04    1.62342e+04    1.35297e+03   -4.20313e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13623e+03    1.44857e+05    2.74108e+05   -1.78143e+04   -2.19136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21597e+04   -1.72525e+06    3.48245e+05   -1.37700e+06    1.94624e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08362e+02   -2.18129e+02   -2.96001e+01    3.43868e-06

           Step           Time
      197895000   395790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39775e+03    2.38401e+04    1.61476e+04    1.29548e+03   -4.27569e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20331e+03    1.45575e+05    2.73954e+05   -1.78278e+04   -2.19031e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23210e+04   -1.72368e+06    3.52393e+05   -1.37129e+06    1.94631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12034e+02   -2.18461e+02    9.85378e+00    3.50804e-06

           Step           Time
      197900000   395800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18290e+03    2.34864e+04    1.62141e+04    1.40191e+03   -4.18374e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14497e+03    1.45960e+05    2.74124e+05   -1.78162e+04   -2.19246e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21355e+04   -1.72581e+06    3.49924e+05   -1.37589e+06    1.94638e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09848e+02   -2.18178e+02    7.10586e+01    3.57643e-06

           Step           Time
      197905000   395810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.03365e+03    2.37273e+04    1.62605e+04    1.34066e+03   -4.20335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27356e+03    1.45427e+05    2.73779e+05   -1.78390e+04   -2.19309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20759e+04   -1.72721e+06    3.51776e+05   -1.37544e+06    1.94644e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11488e+02   -2.18734e+02    8.26549e+00    3.57602e-06

           Step           Time
      197910000   395820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38877e+03    2.40766e+04    1.63650e+04    1.44553e+03   -4.18831e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96680e+03    1.45262e+05    2.73811e+05   -1.78294e+04   -2.19161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22180e+04   -1.72510e+06    3.50127e+05   -1.37497e+06    1.94658e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10028e+02   -2.18501e+02   -2.70057e+01    3.40579e-06

           Step           Time
      197915000   395830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32174e+03    2.37900e+04    1.62801e+04    1.43230e+03   -4.34347e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31489e+03    1.45998e+05    2.72572e+05   -1.78465e+04   -2.18899e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21891e+04   -1.72328e+06    3.49511e+05   -1.37377e+06    1.94667e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09482e+02   -2.18918e+02    9.41734e+01    3.53101e-06

           Step           Time
      197920000   395840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40432e+03    2.39284e+04    1.64465e+04    1.44412e+03   -4.29237e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16863e+03    1.45135e+05    2.74930e+05   -1.78615e+04   -2.19315e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22458e+04   -1.72560e+06    3.51011e+05   -1.37459e+06    1.94672e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10811e+02   -2.19286e+02   -3.52268e+00    3.56230e-06

           Step           Time
      197925000   395850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25434e+03    2.37220e+04    1.64246e+04    1.53467e+03   -4.35523e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05344e+03    1.45600e+05    2.71987e+05   -1.78051e+04   -2.18658e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23379e+04   -1.72182e+06    3.50029e+05   -1.37179e+06    1.94678e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.17906e+02   -6.74279e+01    3.53728e-06

           Step           Time
      197930000   395860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46065e+03    2.36110e+04    1.63195e+04    1.32375e+03   -4.31940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08109e+03    1.45262e+05    2.73407e+05   -1.78306e+04   -2.19023e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22186e+04   -1.72469e+06    3.49886e+05   -1.37481e+06    1.94687e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09814e+02   -2.18529e+02   -5.28640e+01    3.46087e-06

           Step           Time
      197935000   395870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26139e+03    2.35172e+04    1.62857e+04    1.34307e+03   -4.25252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20724e+03    1.46098e+05    2.69094e+05   -1.77765e+04   -2.18578e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22326e+04   -1.72377e+06    3.50511e+05   -1.37326e+06    1.94695e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10368e+02   -2.17207e+02   -2.48950e+02    3.52292e-06

           Step           Time
      197940000   395880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67957e+03    2.37709e+04    1.63492e+04    1.36789e+03   -4.37497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02294e+03    1.45702e+05    2.71575e+05   -1.78254e+04   -2.18847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21014e+04   -1.72410e+06    3.49901e+05   -1.37420e+06    1.94707e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09828e+02   -2.18401e+02   -9.35591e+01    3.37465e-06

           Step           Time
      197945000   395890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26634e+03    2.34370e+04    1.61287e+04    1.33958e+03   -4.32325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08676e+03    1.45635e+05    2.75309e+05   -1.78662e+04   -2.19482e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22735e+04   -1.72753e+06    3.49577e+05   -1.37795e+06    1.94716e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09541e+02   -2.19402e+02    7.30739e+01    3.53133e-06

           Step           Time
      197950000   395900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26611e+03    2.37109e+04    1.62493e+04    1.40845e+03   -4.16133e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08673e+03    1.45149e+05    2.74384e+05   -1.78479e+04   -2.19430e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22117e+04   -1.72784e+06    3.49446e+05   -1.37840e+06    1.94723e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09425e+02   -2.18954e+02   -2.90111e+01    3.61441e-06

           Step           Time
      197955000   395910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26395e+03    2.38015e+04    1.63084e+04    1.44710e+03   -4.36627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13684e+03    1.46117e+05    2.72033e+05   -1.78274e+04   -2.18976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20819e+04   -1.72476e+06    3.50842e+05   -1.37392e+06    1.94730e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10661e+02   -2.18450e+02   -7.21255e+01    3.55099e-06

           Step           Time
      197960000   395920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33318e+03    2.34427e+04    1.63563e+04    1.44676e+03   -4.38461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99395e+03    1.45690e+05    2.76562e+05   -1.78493e+04   -2.19646e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23010e+04   -1.72757e+06    3.49823e+05   -1.37774e+06    1.94740e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09758e+02   -2.18987e+02    8.23915e+01    3.57056e-06

           Step           Time
      197965000   395930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38150e+03    2.40995e+04    1.65029e+04    1.44056e+03   -4.27485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02695e+03    1.45380e+05    2.74025e+05   -1.78192e+04   -2.18995e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21079e+04   -1.72308e+06    3.52507e+05   -1.37057e+06    1.94746e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12135e+02   -2.18251e+02    2.92549e+01    3.39821e-06

           Step           Time
      197970000   395940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54109e+03    2.39422e+04    1.64557e+04    1.38963e+03   -4.33376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05843e+03    1.45060e+05    2.72657e+05   -1.78277e+04   -2.18746e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23194e+04   -1.72220e+06    3.49924e+05   -1.37227e+06    1.94758e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09848e+02   -2.18458e+02   -4.47394e+01    3.62963e-06

           Step           Time
      197975000   395950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41167e+03    2.38317e+04    1.63231e+04    1.36069e+03   -4.19634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08237e+03    1.45321e+05    2.71338e+05   -1.77669e+04   -2.18763e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21216e+04   -1.72380e+06    3.50139e+05   -1.37366e+06    1.94762e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10038e+02   -2.16971e+02   -1.07341e+02    3.41301e-06

           Step           Time
      197980000   395960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48030e+03    2.35798e+04    1.61439e+04    1.44254e+03   -4.15318e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02228e+03    1.45538e+05    2.71043e+05   -1.78136e+04   -2.18553e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22773e+04   -1.72197e+06    3.50039e+05   -1.37193e+06    1.94770e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09950e+02   -2.18113e+02   -6.35903e+01    3.52085e-06

           Step           Time
      197985000   395970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53912e+03    2.37353e+04    1.61759e+04    1.44133e+03   -4.21805e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11216e+03    1.44942e+05    2.74305e+05   -1.78528e+04   -2.19161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23364e+04   -1.72510e+06    3.49688e+05   -1.37541e+06    1.94780e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09639e+02   -2.19073e+02   -6.92220e-01    3.60525e-06

           Step           Time
      197990000   395980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37201e+03    2.34947e+04    1.62791e+04    1.35481e+03   -4.31329e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24756e+03    1.45367e+05    2.72488e+05   -1.78302e+04   -2.19002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20592e+04   -1.72550e+06    3.50054e+05   -1.37545e+06    1.94786e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09963e+02   -2.18519e+02   -6.67865e+01    3.51729e-06

           Step           Time
      197995000   395990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33803e+03    2.35066e+04    1.61183e+04    1.39809e+03   -4.31903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05203e+03    1.45240e+05    2.75117e+05   -1.78056e+04   -2.19422e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23275e+04   -1.72725e+06    3.48934e+05   -1.37832e+06    1.94796e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08971e+02   -2.17918e+02   -8.59230e+01    3.35760e-06

           Step           Time
      198000000   396000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19436e+03    2.35378e+04    1.62723e+04    1.37819e+03   -4.38579e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.32441e+03    1.45011e+05    2.76326e+05   -1.78328e+04   -2.19528e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22772e+04   -1.72718e+06    3.49925e+05   -1.37726e+06    1.94798e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09849e+02   -2.18582e+02    6.80355e+01    3.46386e-06

           Step           Time
      198005000   396010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48024e+03    2.36829e+04    1.64558e+04    1.41916e+03   -4.32351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14292e+03    1.44695e+05    2.74013e+05   -1.78155e+04   -2.19087e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22679e+04   -1.72485e+06    3.50432e+05   -1.37442e+06    1.94812e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10298e+02   -2.18160e+02   -2.62732e+01    3.43938e-06

           Step           Time
      198010000   396020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48872e+03    2.33751e+04    1.63214e+04    1.41377e+03   -4.20851e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06448e+03    1.44804e+05    2.72142e+05   -1.78010e+04   -2.18920e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19950e+04   -1.72561e+06    3.50495e+05   -1.37511e+06    1.94813e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10354e+02   -2.17805e+02   -1.36358e+02    3.49169e-06

           Step           Time
      198015000   396030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39245e+03    2.38802e+04    1.62447e+04    1.39078e+03   -4.15093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11189e+03    1.45704e+05    2.74585e+05   -1.78482e+04   -2.19216e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21938e+04   -1.72466e+06    3.51543e+05   -1.37311e+06    1.94828e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11281e+02   -2.18960e+02    5.79062e+01    3.52798e-06

           Step           Time
      198020000   396040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37429e+03    2.37988e+04    1.63049e+04    1.48466e+03   -4.21350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15610e+03    1.45333e+05    2.73602e+05   -1.78085e+04   -2.18918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21611e+04   -1.72299e+06    3.51040e+05   -1.37195e+06    1.94835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10836e+02   -2.17987e+02   -3.17995e+01    3.48623e-06

           Step           Time
      198025000   396050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57306e+03    2.36920e+04    1.64368e+04    1.36754e+03   -4.37207e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02228e+03    1.44493e+05    2.74581e+05   -1.78150e+04   -2.19196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21727e+04   -1.72581e+06    3.49892e+05   -1.37592e+06    1.94844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09820e+02   -2.18147e+02   -1.10198e+02    3.57738e-06

           Step           Time
      198030000   396060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54171e+03    2.36260e+04    1.63791e+04    1.34994e+03   -4.36453e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08691e+03    1.45010e+05    2.73877e+05   -1.78244e+04   -2.19089e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20792e+04   -1.72513e+06    3.49408e+05   -1.37572e+06    1.94852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09391e+02   -2.18378e+02   -5.02716e+01    3.42969e-06

           Step           Time
      198035000   396070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37086e+03    2.35481e+04    1.62257e+04    1.36323e+03   -4.19703e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10281e+03    1.45118e+05    2.71499e+05   -1.77912e+04   -2.18878e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22760e+04   -1.72527e+06    3.49015e+05   -1.37625e+06    1.94861e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09043e+02   -2.17565e+02   -1.31827e+02    3.44435e-06

           Step           Time
      198040000   396080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30209e+03    2.38612e+04    1.63376e+04    1.40704e+03   -4.36473e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07879e+03    1.45416e+05    2.73903e+05   -1.78277e+04   -2.19150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.72531e+06    3.49512e+05   -1.37580e+06    1.94866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09483e+02   -2.18457e+02   -4.36026e+01    3.60740e-06

           Step           Time
      198045000   396090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25044e+03    2.36561e+04    1.62805e+04    1.42948e+03   -4.25102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24102e+03    1.45383e+05    2.74802e+05   -1.78303e+04   -2.19162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22451e+04   -1.72442e+06    3.50144e+05   -1.37427e+06    1.94877e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10042e+02   -2.18522e+02    4.78205e+00    3.51645e-06

           Step           Time
      198050000   396100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33752e+03    2.35723e+04    1.63746e+04    1.39121e+03   -4.24947e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27554e+03    1.45042e+05    2.74366e+05   -1.78476e+04   -2.19162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19636e+04   -1.72539e+06    3.47395e+05   -1.37800e+06    1.94883e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07609e+02   -2.18946e+02    5.84346e+01    3.35931e-06

           Step           Time
      198055000   396110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32676e+03    2.34116e+04    1.61554e+04    1.33161e+03   -4.28601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17068e+03    1.45750e+05    2.72894e+05   -1.78568e+04   -2.19278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20880e+04   -1.72779e+06    3.48053e+05   -1.37974e+06    1.94896e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08191e+02   -2.19172e+02   -4.59935e+01    3.50024e-06

           Step           Time
      198060000   396120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16833e+03    2.39115e+04    1.61918e+04    1.46303e+03   -4.37323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20077e+03    1.45330e+05    2.72875e+05   -1.78190e+04   -2.19007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23319e+04   -1.72479e+06    3.50516e+05   -1.37428e+06    1.94900e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10372e+02   -2.18244e+02    3.23536e+01    3.54567e-06

           Step           Time
      198065000   396130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31848e+03    2.32712e+04    1.62105e+04    1.34821e+03   -4.44589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13374e+03    1.45591e+05    2.74626e+05   -1.78665e+04   -2.19424e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21213e+04   -1.72793e+06    3.48199e+05   -1.37974e+06    1.94912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08320e+02   -2.19408e+02    1.12898e+01    3.60444e-06

           Step           Time
      198070000   396140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33406e+03    2.41005e+04    1.64315e+04    1.34494e+03   -4.22795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.93201e+03    1.45312e+05    2.72127e+05   -1.78541e+04   -2.18831e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20167e+04   -1.72380e+06    3.50491e+05   -1.37331e+06    1.94914e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10350e+02   -2.19104e+02   -4.61482e+01    3.53256e-06

           Step           Time
      198075000   396150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21974e+03    2.37630e+04    1.62698e+04    1.48469e+03   -4.24550e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17548e+03    1.45406e+05    2.73443e+05   -1.78290e+04   -2.19098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22119e+04   -1.72508e+06    3.49940e+05   -1.37514e+06    1.94925e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09862e+02   -2.18489e+02    3.50153e+01    3.55223e-06

           Step           Time
      198080000   396160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34333e+03    2.32572e+04    1.64211e+04    1.29174e+03   -4.28776e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08099e+03    1.45605e+05    2.74631e+05   -1.78383e+04   -2.19347e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22502e+04   -1.72672e+06    3.50605e+05   -1.37611e+06    1.94930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10451e+02   -2.18719e+02    1.05480e+01    3.46301e-06

           Step           Time
      198085000   396170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.65579e+03    2.36793e+04    1.63517e+04    1.37188e+03   -4.31752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08291e+03    1.44848e+05    2.73128e+05   -1.77758e+04   -2.18921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22118e+04   -1.72397e+06    3.49643e+05   -1.37433e+06    1.94943e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09599e+02   -2.17190e+02   -5.53457e+01    3.64310e-06

           Step           Time
      198090000   396180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34061e+03    2.34479e+04    1.63760e+04    1.35695e+03   -4.29062e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18180e+03    1.45231e+05    2.74593e+05   -1.78285e+04   -2.19253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22086e+04   -1.72591e+06    3.50899e+05   -1.37502e+06    1.94944e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.18479e+02    1.84618e+01    3.43819e-06

           Step           Time
      198095000   396190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59209e+03    2.30241e+04    1.61153e+04    1.40970e+03   -4.30092e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15506e+03    1.46321e+05    2.73293e+05   -1.78268e+04   -2.19189e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20939e+04   -1.72601e+06    3.49331e+05   -1.37668e+06    1.94952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09323e+02   -2.18437e+02   -3.77481e+01    3.48136e-06

           Step           Time
      198100000   396200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54723e+03    2.38534e+04    1.63397e+04    1.38325e+03   -4.20023e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03233e+03    1.45366e+05    2.73343e+05   -1.78301e+04   -2.19162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22275e+04   -1.72556e+06    3.50994e+05   -1.37457e+06    1.94968e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10795e+02   -2.18518e+02   -5.07375e+00    3.45785e-06

           Step           Time
      198105000   396210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34673e+03    2.33034e+04    1.62089e+04    1.31542e+03   -4.10241e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10821e+03    1.45594e+05    2.76646e+05   -1.78089e+04   -2.19276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21827e+04   -1.72396e+06    3.50345e+05   -1.37362e+06    1.94968e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10221e+02   -2.17998e+02    1.22383e+02    3.60021e-06

           Step           Time
      198110000   396220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12527e+03    2.34760e+04    1.63482e+04    1.41878e+03   -4.30634e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12902e+03    1.45416e+05    2.75615e+05   -1.78341e+04   -2.19207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22481e+04   -1.72444e+06    3.49549e+05   -1.37489e+06    1.94977e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09516e+02   -2.18615e+02    1.12422e+02    3.48998e-06

           Step           Time
      198115000   396230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33718e+03    2.41836e+04    1.64718e+04    1.28883e+03   -4.34821e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96814e+03    1.45045e+05    2.73628e+05   -1.78465e+04   -2.19145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21749e+04   -1.72554e+06    3.50954e+05   -1.37459e+06    1.94983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10760e+02   -2.18918e+02    3.58428e+01    3.44727e-06

           Step           Time
      198120000   396240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31168e+03    2.39152e+04    1.63271e+04    1.43812e+03   -4.25474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12738e+03    1.45664e+05    2.75179e+05   -1.78873e+04   -2.19238e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22852e+04   -1.72428e+06    3.49682e+05   -1.37460e+06    1.94997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09634e+02   -2.19920e+02    9.42881e+01    3.48420e-06

           Step           Time
      198125000   396250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39278e+03    2.40141e+04    1.63745e+04    1.39961e+03   -4.22348e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11760e+03    1.45627e+05    2.73633e+05   -1.78379e+04   -2.19090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20680e+04   -1.72433e+06    3.49460e+05   -1.37488e+06    1.95005e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09437e+02   -2.18707e+02   -7.07669e+00    3.44507e-06

           Step           Time
      198130000   396260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19873e+03    2.40379e+04    1.61914e+04    1.45008e+03   -4.33161e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15713e+03    1.45692e+05    2.72749e+05   -1.78291e+04   -2.18895e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20692e+04   -1.72356e+06    3.50868e+05   -1.37270e+06    1.95009e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10684e+02   -2.18493e+02    7.96401e+01    3.43239e-06

Writing checkpoint, step 198131100 at Tue Jun 11 11:39:11 2024


           Step           Time
      198135000   396270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44914e+03    2.36001e+04    1.62233e+04    1.33355e+03   -4.29181e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12420e+03    1.45661e+05    2.72681e+05   -1.78072e+04   -2.19073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22450e+04   -1.72551e+06    3.50578e+05   -1.37493e+06    1.95017e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10427e+02   -2.17955e+02   -1.75838e+02    3.63661e-06

           Step           Time
      198140000   396280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07910e+03    2.32554e+04    1.63518e+04    1.40561e+03   -4.30884e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12921e+03    1.45528e+05    2.76249e+05   -1.78827e+04   -2.19466e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23241e+04   -1.72653e+06    3.49579e+05   -1.37695e+06    1.95025e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09543e+02   -2.19807e+02    1.28044e+02    3.50608e-06

           Step           Time
      198145000   396290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34279e+03    2.37807e+04    1.63356e+04    1.39450e+03   -4.33428e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09972e+03    1.45067e+05    2.75610e+05   -1.78572e+04   -2.19167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20668e+04   -1.72416e+06    3.49581e+05   -1.37458e+06    1.95032e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09544e+02   -2.19182e+02    9.66724e+01    3.55531e-06

           Step           Time
      198150000   396300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46972e+03    2.35969e+04    1.63298e+04    1.31401e+03   -4.32118e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02041e+03    1.45781e+05    2.76257e+05   -1.78208e+04   -2.19541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22721e+04   -1.72651e+06    3.51348e+05   -1.37516e+06    1.95044e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11109e+02   -2.18289e+02    1.40681e+01    3.60223e-06

           Step           Time
      198155000   396310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39255e+03    2.35698e+04    1.63730e+04    1.36987e+03   -4.29767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07808e+03    1.45887e+05    2.76620e+05   -1.78627e+04   -2.19376e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22690e+04   -1.72436e+06    3.48943e+05   -1.37542e+06    1.95050e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08979e+02   -2.19315e+02    1.54133e+02    3.48923e-06

           Step           Time
      198160000   396320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.05946e+03    2.38808e+04    1.62233e+04    1.39032e+03   -4.37277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14984e+03    1.45346e+05    2.74918e+05   -1.78237e+04   -2.19276e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22046e+04   -1.72578e+06    3.48978e+05   -1.37681e+06    1.95055e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09011e+02   -2.18361e+02    7.91429e+01    3.49505e-06

           Step           Time
      198165000   396330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28658e+03    2.34523e+04    1.62848e+04    1.36372e+03   -4.38614e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20559e+03    1.45389e+05    2.74180e+05   -1.78273e+04   -2.19184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22352e+04   -1.72565e+06    3.50158e+05   -1.37550e+06    1.95061e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10055e+02   -2.18448e+02    3.93986e+01    3.54824e-06

           Step           Time
      198170000   396340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56271e+03    2.37572e+04    1.62823e+04    1.42172e+03   -4.44003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05268e+03    1.45009e+05    2.73943e+05   -1.77981e+04   -2.19166e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23060e+04   -1.72556e+06    3.48195e+05   -1.37737e+06    1.95070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08317e+02   -2.17735e+02   -8.06430e+01    3.47023e-06

           Step           Time
      198175000   396350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63704e+03    2.38252e+04    1.63453e+04    1.40170e+03   -4.26379e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15337e+03    1.45001e+05    2.73447e+05   -1.78274e+04   -2.18921e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22592e+04   -1.72323e+06    3.49179e+05   -1.37405e+06    1.95080e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09188e+02   -2.18451e+02   -3.35329e+01    3.54263e-06

           Step           Time
      198180000   396360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33065e+03    2.39815e+04    1.65014e+04    1.37307e+03   -4.35724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07858e+03    1.45069e+05    2.74922e+05   -1.78453e+04   -2.19344e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22576e+04   -1.72612e+06    3.51341e+05   -1.37478e+06    1.95086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11102e+02   -2.18890e+02    5.35429e+01    3.37689e-06

           Step           Time
      198185000   396370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41515e+03    2.34073e+04    1.61868e+04    1.44743e+03   -4.36099e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12918e+03    1.45119e+05    2.72026e+05   -1.78474e+04   -2.18984e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21137e+04   -1.72620e+06    3.51095e+05   -1.37511e+06    1.95087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.18941e+02   -4.79331e+01    3.50448e-06

           Step           Time
      198190000   396380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34913e+03    2.40140e+04    1.64412e+04    1.41176e+03   -4.24800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21410e+03    1.45455e+05    2.75395e+05   -1.78330e+04   -2.19251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24302e+04   -1.72388e+06    3.52208e+05   -1.37167e+06    1.95101e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11870e+02   -2.18587e+02    1.03856e+02    3.39567e-06

           Step           Time
      198195000   396390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29469e+03    2.34841e+04    1.61786e+04    1.42397e+03   -4.20443e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22023e+03    1.45259e+05    2.72333e+05   -1.78016e+04   -2.18913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22895e+04   -1.72465e+06    3.50289e+05   -1.37436e+06    1.95106e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10171e+02   -2.17820e+02   -1.08356e+02    3.55405e-06

           Step           Time
      198200000   396400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35671e+03    2.39059e+04    1.63039e+04    1.42192e+03   -4.28308e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.92257e+03    1.45057e+05    2.74658e+05   -1.78070e+04   -2.19141e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21587e+04   -1.72471e+06    3.50837e+05   -1.37388e+06    1.95109e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10656e+02   -2.17953e+02    3.49833e+00    3.47526e-06

           Step           Time
      198205000   396410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55016e+03    2.37021e+04    1.64490e+04    1.33540e+03   -4.26168e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04066e+03    1.45503e+05    2.75190e+05   -1.78793e+04   -2.19637e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20626e+04   -1.72868e+06    3.50236e+05   -1.37844e+06    1.95123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10124e+02   -2.19723e+02    8.58423e+00    3.43202e-06

           Step           Time
      198210000   396420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14014e+03    2.36809e+04    1.64138e+04    1.41950e+03   -4.28730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21442e+03    1.46181e+05    2.72564e+05   -1.78528e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21207e+04   -1.72385e+06    3.50580e+05   -1.37327e+06    1.95130e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10429e+02   -2.19074e+02    9.10305e+00    3.46799e-06

           Step           Time
      198215000   396430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42770e+03    2.40816e+04    1.61056e+04    1.40168e+03   -4.21398e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04606e+03    1.45316e+05    2.74109e+05   -1.78128e+04   -2.19194e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23233e+04   -1.72516e+06    3.49150e+05   -1.37601e+06    1.95142e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09163e+02   -2.18094e+02   -5.43673e+01    3.48277e-06

           Step           Time
      198220000   396440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28180e+03    2.38265e+04    1.60384e+04    1.35135e+03   -4.16589e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05785e+03    1.45869e+05    2.72892e+05   -1.78289e+04   -2.19042e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22102e+04   -1.72489e+06    3.49569e+05   -1.37532e+06    1.95147e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09533e+02   -2.18488e+02   -3.85232e+01    3.48101e-06

           Step           Time
      198225000   396450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12001e+03    2.35820e+04    1.63441e+04    1.41939e+03   -4.27504e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10869e+03    1.45446e+05    2.74064e+05   -1.78653e+04   -2.19219e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21588e+04   -1.72609e+06    3.49952e+05   -1.37613e+06    1.95158e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09873e+02   -2.19381e+02    1.56619e+01    3.56105e-06

           Step           Time
      198230000   396460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38554e+03    2.39083e+04    1.63525e+04    1.43241e+03   -4.23752e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10630e+03    1.45694e+05    2.72937e+05   -1.78120e+04   -2.19109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22006e+04   -1.72512e+06    3.51723e+05   -1.37340e+06    1.95162e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11441e+02   -2.18074e+02   -6.49471e+01    3.36362e-06

           Step           Time
      198235000   396470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34497e+03    2.41110e+04    1.62790e+04    1.48743e+03   -4.29733e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03109e+03    1.45227e+05    2.74380e+05   -1.78517e+04   -2.19206e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22618e+04   -1.72508e+06    3.49940e+05   -1.37514e+06    1.95169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09862e+02   -2.19047e+02   -4.98637e+00    3.45149e-06

           Step           Time
      198240000   396480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52216e+03    2.35298e+04    1.62981e+04    1.36760e+03   -4.36354e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07388e+03    1.45363e+05    2.74586e+05   -1.78281e+04   -2.19180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22198e+04   -1.72503e+06    3.47764e+05   -1.37727e+06    1.95180e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07935e+02   -2.18468e+02    1.37879e+01    3.47186e-06

           Step           Time
      198245000   396490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38603e+03    2.35497e+04    1.63355e+04    1.34870e+03   -4.31385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09656e+03    1.45353e+05    2.75810e+05   -1.78107e+04   -2.19423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20003e+04   -1.72647e+06    3.49506e+05   -1.37697e+06    1.95186e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09478e+02   -2.18043e+02    3.66076e+01    3.37366e-06

           Step           Time
      198250000   396500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33129e+03    2.34584e+04    1.63468e+04    1.40174e+03   -4.27332e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15405e+03    1.45527e+05    2.74118e+05   -1.78698e+04   -2.19167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21817e+04   -1.72529e+06    3.49151e+05   -1.37614e+06    1.95198e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09163e+02   -2.19489e+02    2.29737e+01    3.44209e-06

           Step           Time
      198255000   396510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34405e+03    2.38746e+04    1.63434e+04    1.32739e+03   -4.37519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13192e+03    1.45533e+05    2.75825e+05   -1.78416e+04   -2.19442e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22680e+04   -1.72598e+06    3.51285e+05   -1.37470e+06    1.95208e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11053e+02   -2.18798e+02    5.05437e+01    3.61465e-06

           Step           Time
      198260000   396520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57305e+03    2.39335e+04    1.63096e+04    1.33553e+03   -4.32126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.99569e+03    1.45370e+05    2.71116e+05   -1.78516e+04   -2.18826e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23052e+04   -1.72449e+06    3.50821e+05   -1.37367e+06    1.95211e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10642e+02   -2.19044e+02   -1.65635e+02    3.54019e-06

           Step           Time
      198265000   396530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17033e+03    2.33410e+04    1.64751e+04    1.38862e+03   -4.25024e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21170e+03    1.45289e+05    2.75304e+05   -1.78389e+04   -2.19475e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21942e+04   -1.72746e+06    3.51025e+05   -1.37644e+06    1.95211e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10823e+02   -2.18731e+02    8.13114e+01    3.57099e-06

           Step           Time
      198270000   396540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54745e+03    2.41886e+04    1.64301e+04    1.32458e+03   -4.35226e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05521e+03    1.44960e+05    2.75546e+05   -1.78747e+04   -2.19291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22398e+04   -1.72484e+06    3.51272e+05   -1.37357e+06    1.95225e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11041e+02   -2.19610e+02    5.35841e+01    3.47684e-06

           Step           Time
      198275000   396550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41657e+03    2.37298e+04    1.62602e+04    1.44489e+03   -4.34940e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04985e+03    1.44976e+05    2.73461e+05   -1.78076e+04   -2.19137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22326e+04   -1.72595e+06    3.50392e+05   -1.37556e+06    1.95240e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10263e+02   -2.17967e+02   -1.02851e+02    3.47444e-06

           Step           Time
      198280000   396560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25796e+03    2.34895e+04    1.63833e+04    1.41939e+03   -4.41090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30876e+03    1.45561e+05    2.74329e+05   -1.78121e+04   -2.19167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22447e+04   -1.72490e+06    3.51097e+05   -1.37380e+06    1.95244e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10887e+02   -2.18077e+02    2.09123e+00    3.45379e-06

           Step           Time
      198285000   396570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38465e+03    2.38275e+04    1.63538e+04    1.35638e+03   -4.28152e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11038e+03    1.45038e+05    2.77045e+05   -1.78368e+04   -2.19405e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21558e+04   -1.72490e+06    3.49436e+05   -1.37546e+06    1.95255e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09415e+02   -2.18681e+02    5.57998e+01    3.51743e-06

           Step           Time
      198290000   396580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34881e+03    2.37413e+04    1.64273e+04    1.37235e+03   -4.38108e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11023e+03    1.45357e+05    2.73262e+05   -1.78014e+04   -2.19212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23617e+04   -1.72632e+06    3.49976e+05   -1.37634e+06    1.95263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09894e+02   -2.17815e+02   -1.10479e+02    3.42075e-06

           Step           Time
      198295000   396590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30463e+03    2.36468e+04    1.63565e+04    1.40910e+03   -4.31403e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04274e+03    1.45267e+05    2.72839e+05   -1.78291e+04   -2.19147e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22134e+04   -1.72653e+06    3.49349e+05   -1.37719e+06    1.95267e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09339e+02   -2.18492e+02   -1.58802e+02    3.60782e-06

           Step           Time
      198300000   396600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19061e+03    2.33908e+04    1.62608e+04    1.40924e+03   -4.28114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15024e+03    1.45401e+05    2.74171e+05   -1.78512e+04   -2.19215e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22455e+04   -1.72606e+06    3.51892e+05   -1.37417e+06    1.95274e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11590e+02   -2.19033e+02    7.53846e+01    3.50124e-06

           Step           Time
      198305000   396610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.81713e+03    2.40871e+04    1.64127e+04    1.46849e+03   -4.35138e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18647e+03    1.45071e+05    2.74282e+05   -1.78187e+04   -2.19069e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23764e+04   -1.72316e+06    3.51210e+05   -1.37195e+06    1.95291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10987e+02   -2.18239e+02    1.48285e+01    3.46156e-06

           Step           Time
      198310000   396620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37913e+03    2.38245e+04    1.63718e+04    1.39114e+03   -4.33804e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12867e+03    1.45347e+05    2.73884e+05   -1.78317e+04   -2.18845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24499e+04   -1.72184e+06    3.51710e+05   -1.37013e+06    1.95291e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11429e+02   -2.18556e+02    1.02544e+02    3.42822e-06

           Step           Time
      198315000   396630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57613e+03    2.40164e+04    1.61759e+04    1.36821e+03   -4.31852e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12980e+03    1.44588e+05    2.77064e+05   -1.78340e+04   -2.19321e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22623e+04   -1.72418e+06    3.50063e+05   -1.37411e+06    1.95303e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09971e+02   -2.18613e+02    1.20135e+02    3.54262e-06

           Step           Time
      198320000   396640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47912e+03    2.39158e+04    1.64447e+04    1.39119e+03   -4.31490e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07500e+03    1.45084e+05    2.74273e+05   -1.78591e+04   -2.19133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21933e+04   -1.72465e+06    3.49598e+05   -1.37505e+06    1.95310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09559e+02   -2.19227e+02    3.13919e-01    3.37282e-06

           Step           Time
      198325000   396650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43253e+03    2.38859e+04    1.61801e+04    1.35467e+03   -4.21932e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09039e+03    1.44938e+05    2.76626e+05   -1.78573e+04   -2.19603e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21818e+04   -1.72742e+06    3.50564e+05   -1.37686e+06    1.95317e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10415e+02   -2.19183e+02    4.21714e+01    3.34126e-06

           Step           Time
      198330000   396660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26447e+03    2.40091e+04    1.65352e+04    1.44155e+03   -4.26445e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15901e+03    1.45452e+05    2.75008e+05   -1.77951e+04   -2.19134e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23128e+04   -1.72322e+06    3.50700e+05   -1.37252e+06    1.95325e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10535e+02   -2.17662e+02    7.18155e+01    3.51147e-06

           Step           Time
      198335000   396670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44468e+03    2.35385e+04    1.61526e+04    1.34017e+03   -4.14623e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04931e+03    1.45611e+05    2.72188e+05   -1.78436e+04   -2.18929e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21287e+04   -1.72482e+06    3.50953e+05   -1.37387e+06    1.95330e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10759e+02   -2.18847e+02   -8.30224e+01    3.64465e-06

           Step           Time
      198340000   396680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.65262e+03    2.38313e+04    1.63704e+04    1.37504e+03   -4.32383e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10783e+03    1.44971e+05    2.75614e+05   -1.78472e+04   -2.19443e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22858e+04   -1.72639e+06    3.49844e+05   -1.37655e+06    1.95342e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09777e+02   -2.18936e+02    3.93051e+01    3.37517e-06

           Step           Time
      198345000   396690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47184e+03    2.38199e+04    1.62531e+04    1.30626e+03   -4.28389e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18548e+03    1.45213e+05    2.75391e+05   -1.78079e+04   -2.19267e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22316e+04   -1.72489e+06    3.50688e+05   -1.37420e+06    1.95344e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10524e+02   -2.17974e+02    6.28041e+01    3.47463e-06

           Step           Time
      198350000   396700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25874e+03    2.33993e+04    1.63344e+04    1.42316e+03   -4.29717e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13661e+03    1.45429e+05    2.72871e+05   -1.78305e+04   -2.19081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20236e+04   -1.72606e+06    3.49645e+05   -1.37642e+06    1.95348e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09601e+02   -2.18526e+02   -3.23073e+01    3.44685e-06

           Step           Time
      198355000   396710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09322e+03    2.33450e+04    1.62955e+04    1.44690e+03   -4.24166e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18344e+03    1.45666e+05    2.73067e+05   -1.78227e+04   -2.19044e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21538e+04   -1.72525e+06    3.47220e+05   -1.37803e+06    1.95363e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07453e+02   -2.18336e+02   -4.34645e+01    3.44021e-06

           Step           Time
      198360000   396720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47083e+03    2.37290e+04    1.63060e+04    1.43954e+03   -4.29744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07576e+03    1.45356e+05    2.72903e+05   -1.78417e+04   -2.18918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22913e+04   -1.72375e+06    3.49542e+05   -1.37421e+06    1.95366e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09510e+02   -2.18802e+02    7.79067e+00    3.40657e-06

           Step           Time
      198365000   396730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07782e+03    2.36491e+04    1.63784e+04    1.38893e+03   -4.41359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24334e+03    1.45679e+05    2.76183e+05   -1.78563e+04   -2.19253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20757e+04   -1.72412e+06    3.49023e+05   -1.37510e+06    1.95375e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09051e+02   -2.19158e+02    1.91980e+02    3.42171e-06

           Step           Time
      198370000   396740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24380e+03    2.37145e+04    1.63517e+04    1.34309e+03   -4.41377e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07083e+03    1.45440e+05    2.75946e+05   -1.78370e+04   -2.19324e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23535e+04   -1.72502e+06    3.49967e+05   -1.37506e+06    1.95380e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09886e+02   -2.18687e+02    3.07706e+01    3.46237e-06

           Step           Time
      198375000   396750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45263e+03    2.39280e+04    1.62179e+04    1.37999e+03   -4.08855e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10706e+03    1.45404e+05    2.74220e+05   -1.78564e+04   -2.19070e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21448e+04   -1.72379e+06    3.49695e+05   -1.37409e+06    1.95395e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09645e+02   -2.19160e+02   -5.46134e+00    3.64156e-06

           Step           Time
      198380000   396760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56443e+03    2.31178e+04    1.63317e+04    1.39930e+03   -4.30259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20333e+03    1.45312e+05    2.73608e+05   -1.78459e+04   -2.19002e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21095e+04   -1.72453e+06    3.49763e+05   -1.37476e+06    1.95398e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09705e+02   -2.18903e+02   -1.39741e+01    3.44849e-06

           Step           Time
      198385000   396770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25792e+03    2.34990e+04    1.62896e+04    1.38727e+03   -4.20472e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19868e+03    1.45180e+05    2.75156e+05   -1.78385e+04   -2.19345e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21780e+04   -1.72635e+06    3.47200e+05   -1.37915e+06    1.95409e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07436e+02   -2.18723e+02    6.28972e+01    3.51305e-06

           Step           Time
      198390000   396780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23339e+03    2.38553e+04    1.64575e+04    1.41052e+03   -4.38219e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23259e+03    1.45238e+05    2.74942e+05   -1.78023e+04   -2.19007e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23405e+04   -1.72255e+06    3.50164e+05   -1.37238e+06    1.95417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10060e+02   -2.17836e+02    7.12696e+01    3.49066e-06

           Step           Time
      198395000   396790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33081e+03    2.34520e+04    1.63098e+04    1.42597e+03   -4.34021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10894e+03    1.45663e+05    2.74294e+05   -1.78552e+04   -2.19167e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23586e+04   -1.72493e+06    3.48522e+05   -1.37640e+06    1.95423e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08607e+02   -2.19131e+02   -1.91230e+01    3.44764e-06

           Step           Time
      198400000   396800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34167e+03    2.34226e+04    1.64892e+04    1.41457e+03   -4.28229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16869e+03    1.45433e+05    2.75207e+05   -1.78576e+04   -2.19340e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21905e+04   -1.72587e+06    3.50969e+05   -1.37490e+06    1.95430e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10773e+02   -2.19190e+02    8.20086e+01    3.54424e-06

           Step           Time
      198405000   396810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35036e+03    2.29755e+04    1.63779e+04    1.36100e+03   -4.28587e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23299e+03    1.45601e+05    2.74558e+05   -1.78133e+04   -2.19339e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20544e+04   -1.72698e+06    3.49198e+05   -1.37778e+06    1.95435e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09205e+02   -2.18106e+02   -3.49242e+01    3.38107e-06

           Step           Time
      198410000   396820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21894e+03    2.38481e+04    1.62873e+04    1.37729e+03   -4.36656e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07818e+03    1.45270e+05    2.76113e+05   -1.78336e+04   -2.19439e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20905e+04   -1.72631e+06    3.50370e+05   -1.37594e+06    1.95444e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10242e+02   -2.18603e+02    8.91552e+01    3.44481e-06

           Step           Time
      198415000   396830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34015e+03    2.37913e+04    1.66257e+04    1.35165e+03   -4.45294e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10367e+03    1.45265e+05    2.73626e+05   -1.78188e+04   -2.18926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22013e+04   -1.72323e+06    3.49925e+05   -1.37331e+06    1.95452e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09849e+02   -2.18241e+02   -6.58823e+01    3.44147e-06

           Step           Time
      198420000   396840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52199e+03    2.38399e+04    1.64567e+04    1.32023e+03   -4.35846e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17983e+03    1.45417e+05    2.71848e+05   -1.77753e+04   -2.18751e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21920e+04   -1.72287e+06    3.50901e+05   -1.37197e+06    1.95462e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10713e+02   -2.17177e+02   -1.31190e+02    3.33010e-06

           Step           Time
      198425000   396850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.86687e+03    2.38074e+04    1.63335e+04    1.39604e+03   -4.30535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.92311e+03    1.45094e+05    2.70814e+05   -1.78373e+04   -2.18811e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21861e+04   -1.72483e+06    3.50199e+05   -1.37463e+06    1.95468e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.18694e+02   -2.23354e+02    3.50745e-06

           Step           Time
      198430000   396860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25756e+03    2.36937e+04    1.62571e+04    1.41199e+03   -4.30117e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23778e+03    1.45731e+05    2.74405e+05   -1.78359e+04   -2.19103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23393e+04   -1.72383e+06    3.50589e+05   -1.37324e+06    1.95481e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10436e+02   -2.18660e+02    1.26488e+02    3.40425e-06

           Step           Time
      198435000   396870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30463e+03    2.37654e+04    1.61607e+04    1.41817e+03   -4.31067e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05804e+03    1.45631e+05    2.74237e+05   -1.78060e+04   -2.19164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21985e+04   -1.72498e+06    3.50576e+05   -1.37440e+06    1.95486e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.17928e+02   -4.43124e+01    3.51541e-06

           Step           Time
      198440000   396880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27210e+03    2.36261e+04    1.63868e+04    1.41500e+03   -4.40807e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10451e+03    1.45281e+05    2.72193e+05   -1.78591e+04   -2.19110e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21783e+04   -1.72691e+06    3.48657e+05   -1.37825e+06    1.95493e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08726e+02   -2.19228e+02   -7.28520e+01    3.48300e-06

           Step           Time
      198445000   396890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32692e+03    2.32563e+04    1.63471e+04    1.51409e+03   -4.32244e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22711e+03    1.45916e+05    2.74618e+05   -1.78113e+04   -2.18989e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24618e+04   -1.72236e+06    3.50408e+05   -1.37195e+06    1.95500e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10276e+02   -2.18057e+02    1.11722e+02    3.62210e-06

           Step           Time
      198450000   396900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37049e+03    2.37295e+04    1.62941e+04    1.34638e+03   -4.37544e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13379e+03    1.45564e+05    2.73404e+05   -1.78008e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23321e+04   -1.72529e+06    3.49876e+05   -1.37541e+06    1.95507e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09806e+02   -2.17799e+02   -5.33162e+01    3.46858e-06

           Step           Time
      198455000   396910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30403e+03    2.36674e+04    1.62527e+04    1.42485e+03   -4.36585e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13153e+03    1.45239e+05    2.72162e+05   -1.78607e+04   -2.18898e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23797e+04   -1.72465e+06    3.48732e+05   -1.37591e+06    1.95519e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08793e+02   -2.19267e+02   -3.47207e+01    3.49512e-06

           Step           Time
      198460000   396920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61587e+03    2.39447e+04    1.64203e+04    1.47664e+03   -4.28440e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06752e+03    1.45417e+05    2.72515e+05   -1.78107e+04   -2.18866e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22852e+04   -1.72301e+06    3.50823e+05   -1.37219e+06    1.95533e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10644e+02   -2.18042e+02   -8.85222e+01    3.41614e-06

           Step           Time
      198465000   396930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35986e+03    2.40831e+04    1.61715e+04    1.37375e+03   -4.36859e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17400e+03    1.45109e+05    2.74747e+05   -1.78659e+04   -2.19227e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21507e+04   -1.72533e+06    3.49755e+05   -1.37558e+06    1.95541e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09698e+02   -2.19394e+02    6.81125e+01    3.48573e-06

           Step           Time
      198470000   396940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44756e+03    2.39890e+04    1.60880e+04    1.38839e+03   -4.45746e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13346e+03    1.45038e+05    2.73193e+05   -1.77860e+04   -2.19012e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20253e+04   -1.72506e+06    3.49442e+05   -1.37562e+06    1.95547e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09422e+02   -2.17438e+02   -6.90893e+01    3.37036e-06

           Step           Time
      198475000   396950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.64096e+03    2.36158e+04    1.64659e+04    1.33547e+03   -4.48019e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22219e+03    1.45410e+05    2.72884e+05   -1.78054e+04   -2.18981e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24440e+04   -1.72408e+06    3.51167e+05   -1.37291e+06    1.95552e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10948e+02   -2.17913e+02   -2.31396e+01    3.49537e-06

           Step           Time
      198480000   396960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35683e+03    2.38978e+04    1.63100e+04    1.47969e+03   -4.35626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17143e+03    1.45718e+05    2.74735e+05   -1.77969e+04   -2.19396e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21721e+04   -1.72627e+06    3.51969e+05   -1.37430e+06    1.95560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11658e+02   -2.17705e+02    3.72027e+00    3.46230e-06

           Step           Time
      198485000   396970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47479e+03    2.35523e+04    1.64461e+04    1.42698e+03   -4.36595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20015e+03    1.45504e+05    2.74894e+05   -1.78385e+04   -2.19090e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22517e+04   -1.72335e+06    3.49647e+05   -1.37370e+06    1.95570e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09603e+02   -2.18722e+02    4.12182e+01    3.51675e-06

           Step           Time
      198490000   396980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27400e+03    2.40400e+04    1.64158e+04    1.42996e+03   -4.37485e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10376e+03    1.45163e+05    2.75230e+05   -1.78505e+04   -2.19163e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21575e+04   -1.72404e+06    3.50283e+05   -1.37376e+06    1.95573e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10166e+02   -2.19017e+02    1.23792e+02    3.57624e-06

           Step           Time
      198495000   396990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51169e+03    2.38225e+04    1.63302e+04    1.34677e+03   -4.35447e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20415e+03    1.45549e+05    2.72931e+05   -1.78295e+04   -2.19224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21776e+04   -1.72655e+06    3.50473e+05   -1.37608e+06    1.95584e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10334e+02   -2.18501e+02   -5.59217e+01    3.46172e-06

           Step           Time
      198500000   397000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46185e+03    2.38025e+04    1.64872e+04    1.39056e+03   -4.42114e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05041e+03    1.44854e+05    2.73427e+05   -1.78068e+04   -2.18875e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21861e+04   -1.72332e+06    3.49372e+05   -1.37395e+06    1.95588e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09359e+02   -2.17947e+02   -5.69400e+01    3.62391e-06

           Step           Time
      198505000   397010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41336e+03    2.38090e+04    1.64680e+04    1.35794e+03   -4.27449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16621e+03    1.45226e+05    2.73825e+05   -1.77978e+04   -2.18963e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21791e+04   -1.72326e+06    3.49404e+05   -1.37385e+06    1.95597e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09387e+02   -2.17727e+02   -2.01855e+01    3.50876e-06

           Step           Time
      198510000   397020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14601e+03    2.35579e+04    1.63757e+04    1.28120e+03   -4.40376e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25717e+03    1.45921e+05    2.74875e+05   -1.78365e+04   -2.19458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21860e+04   -1.72722e+06    3.52286e+05   -1.37493e+06    1.95597e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11940e+02   -2.18673e+02    5.06751e+01    3.48157e-06

           Step           Time
      198515000   397030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.00721e+03    2.34172e+04    1.61001e+04    1.37378e+03   -4.17499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11448e+03    1.45579e+05    2.74937e+05   -1.78801e+04   -2.19548e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20369e+04   -1.72897e+06    3.48147e+05   -1.38082e+06    1.95616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08275e+02   -2.19743e+02    4.23885e+01    3.43058e-06

           Step           Time
      198520000   397040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22574e+03    2.38926e+04    1.63305e+04    1.38848e+03   -4.31687e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08324e+03    1.45156e+05    2.72993e+05   -1.78051e+04   -2.19158e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21273e+04   -1.72650e+06    3.50686e+05   -1.37582e+06    1.95622e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10523e+02   -2.17905e+02   -9.78882e+01    3.49049e-06

           Step           Time
      198525000   397050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.78792e+03    2.34583e+04    1.63506e+04    1.32869e+03   -4.18480e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11462e+03    1.45203e+05    2.70832e+05   -1.77847e+04   -2.18690e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22044e+04   -1.72359e+06    3.50247e+05   -1.37334e+06    1.95627e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10134e+02   -2.17406e+02   -2.17172e+02    3.68620e-06

           Step           Time
      198530000   397060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31854e+03    2.37348e+04    1.63010e+04    1.45417e+03   -4.24284e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08594e+03    1.44687e+05    2.75167e+05   -1.78683e+04   -2.19385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19965e+04   -1.72722e+06    3.50390e+05   -1.37683e+06    1.95638e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10261e+02   -2.19452e+02    5.93779e+01    3.41086e-06

           Step           Time
      198535000   397070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37650e+03    2.32452e+04    1.63832e+04    1.38634e+03   -4.28745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12220e+03    1.45338e+05    2.72812e+05   -1.78008e+04   -2.18854e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22691e+04   -1.72369e+06    3.47551e+05   -1.37614e+06    1.95651e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07747e+02   -2.17800e+02   -1.21125e+02    3.63165e-06

           Step           Time
      198540000   397080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43923e+03    2.39910e+04    1.62486e+04    1.41778e+03   -4.33025e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07207e+03    1.44789e+05    2.74558e+05   -1.78580e+04   -2.19251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21424e+04   -1.72604e+06    3.50051e+05   -1.37599e+06    1.95656e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09960e+02   -2.19201e+02   -3.16209e+01    3.45853e-06

           Step           Time
      198545000   397090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39736e+03    2.38713e+04    1.62361e+04    1.36055e+03   -4.24058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17406e+03    1.45001e+05    2.74513e+05   -1.78142e+04   -2.18967e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23372e+04   -1.72284e+06    3.50067e+05   -1.37277e+06    1.95662e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09974e+02   -2.18128e+02    4.26646e+01    3.55214e-06

           Step           Time
      198550000   397100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37479e+03    2.36528e+04    1.62394e+04    1.40531e+03   -4.33351e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11700e+03    1.45607e+05    2.71076e+05   -1.78101e+04   -2.18698e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23169e+04   -1.72333e+06    3.51540e+05   -1.37180e+06    1.95666e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11279e+02   -2.18028e+02   -1.01463e+02    3.30364e-06

           Step           Time
      198555000   397110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18810e+03    2.37217e+04    1.63259e+04    1.38192e+03   -4.32037e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14582e+03    1.45101e+05    2.74135e+05   -1.78343e+04   -2.19058e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21327e+04   -1.72460e+06    3.49535e+05   -1.37506e+06    1.95679e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09504e+02   -2.18620e+02    6.91898e+01    3.45070e-06

           Step           Time
      198560000   397120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39792e+03    2.38134e+04    1.63450e+04    1.34345e+03   -4.37040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03344e+03    1.45426e+05    2.74083e+05   -1.78046e+04   -2.19252e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21661e+04   -1.72609e+06    3.49286e+05   -1.37680e+06    1.95686e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09283e+02   -2.17893e+02   -6.64313e+01    3.40888e-06

           Step           Time
      198565000   397130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43597e+03    2.37077e+04    1.60357e+04    1.29276e+03   -4.35205e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04455e+03    1.44869e+05    2.73168e+05   -1.78536e+04   -2.19256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20737e+04   -1.72813e+06    3.50535e+05   -1.37760e+06    1.95691e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10389e+02   -2.19092e+02   -1.04741e+02    3.52111e-06

           Step           Time
      198570000   397140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19199e+03    2.39265e+04    1.63351e+04    1.41566e+03   -4.23248e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06100e+03    1.45303e+05    2.74149e+05   -1.78485e+04   -2.19346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21336e+04   -1.72702e+06    3.50329e+05   -1.37669e+06    1.95698e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10207e+02   -2.18969e+02    3.46306e+01    3.54157e-06

           Step           Time
      198575000   397150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.64895e+03    2.35420e+04    1.62618e+04    1.34655e+03   -4.41461e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19671e+03    1.45296e+05    2.75236e+05   -1.78366e+04   -2.19502e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24581e+04   -1.72728e+06    3.50408e+05   -1.37688e+06    1.95710e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10277e+02   -2.18675e+02   -2.92245e+01    3.44842e-06

           Step           Time
      198580000   397160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62530e+03    2.36856e+04    1.63553e+04    1.43424e+03   -4.32611e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15209e+03    1.45173e+05    2.73423e+05   -1.78211e+04   -2.19064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21943e+04   -1.72474e+06    3.48748e+05   -1.37600e+06    1.95715e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08806e+02   -2.18297e+02   -8.15008e+01    3.49334e-06

           Step           Time
      198585000   397170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20348e+03    2.36969e+04    1.61899e+04    1.34076e+03   -4.26361e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18991e+03    1.45004e+05    2.76151e+05   -1.77661e+04   -2.19416e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21221e+04   -1.72629e+06    3.49431e+05   -1.37686e+06    1.95723e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09411e+02   -2.16952e+02    4.39117e+01    3.50072e-06

           Step           Time
      198590000   397180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37524e+03    2.40094e+04    1.63657e+04    1.35698e+03   -4.34036e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06540e+03    1.45410e+05    2.72994e+05   -1.78154e+04   -2.19005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22934e+04   -1.72434e+06    3.50830e+05   -1.37351e+06    1.95729e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10650e+02   -2.18156e+02   -1.18057e+01    3.51509e-06

           Step           Time
      198595000   397190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41191e+03    2.38742e+04    1.64080e+04    1.37560e+03   -4.35750e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14273e+03    1.45456e+05    2.72950e+05   -1.78467e+04   -2.18992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21812e+04   -1.72432e+06    3.49788e+05   -1.37454e+06    1.95742e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09728e+02   -2.18924e+02   -7.03186e+01    3.38201e-06

           Step           Time
      198600000   397200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39414e+03    2.34253e+04    1.64214e+04    1.39899e+03   -4.37503e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05450e+03    1.45480e+05    2.74029e+05   -1.78279e+04   -2.19308e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23270e+04   -1.72675e+06    3.49755e+05   -1.37699e+06    1.95748e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09698e+02   -2.18464e+02   -4.15849e+01    3.54924e-06

           Step           Time
      198605000   397210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32182e+03    2.36028e+04    1.62238e+04    1.39908e+03   -4.40627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18723e+03    1.45656e+05    2.74115e+05   -1.78422e+04   -2.19433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20712e+04   -1.72801e+06    3.49224e+05   -1.37878e+06    1.95760e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09228e+02   -2.18812e+02   -3.50220e+01    3.51261e-06

           Step           Time
      198610000   397220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35350e+03    2.38740e+04    1.63059e+04    1.47504e+03   -4.29056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06903e+03    1.45089e+05    2.74948e+05   -1.78000e+04   -2.19186e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22679e+04   -1.72457e+06    3.50333e+05   -1.37424e+06    1.95767e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10210e+02   -2.17781e+02   -3.40448e+00    3.54042e-06

           Step           Time
      198615000   397230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31539e+03    2.38172e+04    1.61503e+04    1.44638e+03   -4.41142e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09209e+03    1.45072e+05    2.74188e+05   -1.78929e+04   -2.19262e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21644e+04   -1.72667e+06    3.51499e+05   -1.37517e+06    1.95773e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11243e+02   -2.20056e+02    1.10999e+02    3.49837e-06

           Step           Time
      198620000   397240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56381e+03    2.36622e+04    1.62070e+04    1.47199e+03   -4.24259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.30535e+03    1.45433e+05    2.75446e+05   -1.77995e+04   -2.18938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22017e+04   -1.72113e+06    3.49498e+05   -1.37163e+06    1.95788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09470e+02   -2.17769e+02    7.48087e+01    3.46325e-06

           Step           Time
      198625000   397250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24785e+03    2.38123e+04    1.63382e+04    1.40964e+03   -4.38707e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10660e+03    1.44884e+05    2.74443e+05   -1.78182e+04   -2.19145e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20322e+04   -1.72538e+06    3.49076e+05   -1.37630e+06    1.95791e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09097e+02   -2.18225e+02   -9.12214e+00    3.34316e-06

           Step           Time
      198630000   397260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43626e+03    2.36209e+04    1.64306e+04    1.39591e+03   -4.27768e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09724e+03    1.44789e+05    2.72524e+05   -1.78285e+04   -2.18859e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22744e+04   -1.72413e+06    3.50582e+05   -1.37355e+06    1.95794e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10431e+02   -2.18479e+02   -5.56926e+01    3.52164e-06

           Step           Time
      198635000   397270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33272e+03    2.35942e+04    1.65625e+04    1.43640e+03   -4.28350e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11510e+03    1.45254e+05    2.72264e+05   -1.78380e+04   -2.19120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21252e+04   -1.72664e+06    3.49472e+05   -1.37717e+06    1.95804e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09447e+02   -2.18710e+02   -6.60224e+01    3.46574e-06

           Step           Time
      198640000   397280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36078e+03    2.41164e+04    1.63049e+04    1.35939e+03   -4.31720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12381e+03    1.45605e+05    2.75097e+05   -1.78210e+04   -2.19132e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23420e+04   -1.72315e+06    3.50795e+05   -1.37235e+06    1.95817e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10619e+02   -2.18294e+02    1.02663e+02    3.49777e-06

           Step           Time
      198645000   397290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24383e+03    2.39916e+04    1.64184e+04    1.41868e+03   -4.44040e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12140e+03    1.45480e+05    2.74508e+05   -1.77925e+04   -2.19066e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21164e+04   -1.72359e+06    3.51536e+05   -1.37206e+06    1.95818e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11275e+02   -2.17597e+02    1.36372e+01    3.59855e-06

           Step           Time
      198650000   397300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25181e+03    2.38384e+04    1.61949e+04    1.37551e+03   -4.38450e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00253e+03    1.45261e+05    2.76248e+05   -1.78848e+04   -2.19304e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20600e+04   -1.72507e+06    3.51353e+05   -1.37372e+06    1.95831e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11114e+02   -2.19857e+02    1.53604e+02    3.52232e-06

           Step           Time
      198655000   397310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35764e+03    2.41462e+04    1.63992e+04    1.43767e+03   -4.31535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03788e+03    1.45343e+05    2.73755e+05   -1.77900e+04   -2.18960e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22180e+04   -1.72301e+06    3.49322e+05   -1.37369e+06    1.95840e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09314e+02   -2.17536e+02   -2.24932e+01    3.52725e-06

           Step           Time
      198660000   397320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46023e+03    2.35857e+04    1.63722e+04    1.38576e+03   -4.37881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07940e+03    1.45323e+05    2.75118e+05   -1.78468e+04   -2.19103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21442e+04   -1.72379e+06    3.49162e+05   -1.37463e+06    1.95846e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09173e+02   -2.18927e+02    4.44041e+01    3.46817e-06

           Step           Time
      198665000   397330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48165e+03    2.35678e+04    1.60788e+04    1.32923e+03   -4.29909e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13881e+03    1.45300e+05    2.75045e+05   -1.78201e+04   -2.19081e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22082e+04   -1.72378e+06    3.50974e+05   -1.37280e+06    1.95855e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10777e+02   -2.18272e+02    3.84090e+01    3.70834e-06

           Step           Time
      198670000   397340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38978e+03    2.36746e+04    1.63457e+04    1.36859e+03   -4.34249e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09226e+03    1.44692e+05    2.75866e+05   -1.77928e+04   -2.19180e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21787e+04   -1.72433e+06    3.50259e+05   -1.37407e+06    1.95866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10145e+02   -2.17605e+02    5.88958e+01    3.65515e-06

           Step           Time
      198675000   397350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24081e+03    2.36135e+04    1.63362e+04    1.37583e+03   -4.42721e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11005e+03    1.44652e+05    2.75699e+05   -1.78746e+04   -2.19234e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22649e+04   -1.72535e+06    3.50496e+05   -1.37485e+06    1.95872e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10355e+02   -2.19607e+02    1.48361e+02    3.54336e-06

           Step           Time
      198680000   397360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63664e+03    2.36847e+04    1.63167e+04    1.36094e+03   -4.36018e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10054e+03    1.44382e+05    2.72206e+05   -1.78148e+04   -2.18868e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20452e+04   -1.72512e+06    3.47917e+05   -1.37720e+06    1.95885e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08071e+02   -2.18142e+02   -7.48251e+01    3.52793e-06

           Step           Time
      198685000   397370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09474e+03    2.41478e+04    1.64924e+04    1.45732e+03   -4.33720e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04015e+03    1.45083e+05    2.74017e+05   -1.78260e+04   -2.19106e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22868e+04   -1.72460e+06    3.51011e+05   -1.37359e+06    1.95889e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10810e+02   -2.18417e+02    4.97836e+01    3.49478e-06

           Step           Time
      198690000   397380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    7.98197e+03    2.39075e+04    1.62940e+04    1.42681e+03   -4.47466e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19980e+03    1.45191e+05    2.75947e+05   -1.78105e+04   -2.19538e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20604e+04   -1.72765e+06    3.49349e+05   -1.37830e+06    1.95901e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09339e+02   -2.18037e+02    5.86659e+01    3.41116e-06

           Step           Time
      198695000   397390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39054e+03    2.33008e+04    1.67124e+04    1.43382e+03   -4.31368e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03413e+03    1.44928e+05    2.75939e+05   -1.78261e+04   -2.19329e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22024e+04   -1.72549e+06    3.50577e+05   -1.37491e+06    1.95905e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10426e+02   -2.18418e+02    2.15722e+01    3.47400e-06

           Step           Time
      198700000   397400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35782e+03    2.36698e+04    1.63079e+04    1.40768e+03   -4.35014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07705e+03    1.44798e+05    2.73620e+05   -1.78354e+04   -2.19052e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22757e+04   -1.72519e+06    3.49465e+05   -1.37573e+06    1.95913e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09442e+02   -2.18646e+02   -1.76706e+01    3.43490e-06

           Step           Time
      198705000   397410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43227e+03    2.36303e+04    1.65432e+04    1.32625e+03   -4.33014e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00348e+03    1.45522e+05    2.72789e+05   -1.78361e+04   -2.18957e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23605e+04   -1.72413e+06    3.50535e+05   -1.37360e+06    1.95928e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10389e+02   -2.18664e+02   -4.25288e+01    3.57563e-06

           Step           Time
      198710000   397420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27472e+03    2.34403e+04    1.62940e+04    1.44218e+03   -4.34013e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11329e+03    1.44845e+05    2.75050e+05   -1.78491e+04   -2.19499e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21680e+04   -1.72855e+06    3.49342e+05   -1.37921e+06    1.95933e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09333e+02   -2.18982e+02    1.94449e+00    3.59537e-06

           Step           Time
      198715000   397430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36185e+03    2.41412e+04    1.64913e+04    1.38426e+03   -4.32474e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10643e+03    1.45177e+05    2.73310e+05   -1.78112e+04   -2.19020e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22821e+04   -1.72408e+06    3.50485e+05   -1.37360e+06    1.95946e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10345e+02   -2.18054e+02   -5.67908e+01    3.46054e-06

           Step           Time
      198720000   397440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67949e+03    2.37486e+04    1.65455e+04    1.37284e+03   -4.43887e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06885e+03    1.44737e+05    2.72940e+05   -1.77709e+04   -2.18945e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22022e+04   -1.72436e+06    3.51846e+05   -1.37252e+06    1.95951e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11550e+02   -2.17069e+02   -1.36200e+02    3.57693e-06

           Step           Time
      198725000   397450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48202e+03    2.37900e+04    1.63038e+04    1.33678e+03   -4.21836e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12828e+03    1.44447e+05    2.74040e+05   -1.77549e+04   -2.18915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21164e+04   -1.72348e+06    3.50441e+05   -1.37304e+06    1.95958e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10306e+02   -2.16680e+02   -8.06724e+01    3.65846e-06

           Step           Time
      198730000   397460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51526e+03    2.35776e+04    1.64043e+04    1.42422e+03   -4.20441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04864e+03    1.44753e+05    2.74182e+05   -1.78361e+04   -2.19184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20604e+04   -1.72591e+06    3.48225e+05   -1.37769e+06    1.95965e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08343e+02   -2.18665e+02   -2.87182e+01    3.58205e-06

           Step           Time
      198735000   397470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38924e+03    2.31742e+04    1.64080e+04    1.39110e+03   -4.33027e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20894e+03    1.45143e+05    2.74247e+05   -1.78241e+04   -2.19127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22230e+04   -1.72524e+06    3.49622e+05   -1.37562e+06    1.95977e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09580e+02   -2.18370e+02    6.23036e+01    3.50051e-06

           Step           Time
      198740000   397480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51164e+03    2.38180e+04    1.63806e+04    1.47212e+03   -4.46945e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10317e+03    1.45300e+05    2.72823e+05   -1.77840e+04   -2.18924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22267e+04   -1.72386e+06    3.48938e+05   -1.37492e+06    1.95983e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08975e+02   -2.17390e+02   -5.99417e+01    3.54319e-06

           Step           Time
      198745000   397490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12505e+03    2.38353e+04    1.64772e+04    1.32420e+03   -4.48520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14610e+03    1.44953e+05    2.72593e+05   -1.78420e+04   -2.18870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22022e+04   -1.72437e+06    3.49545e+05   -1.37482e+06    1.95995e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09513e+02   -2.18808e+02   -7.20597e+00    3.48976e-06

           Step           Time
      198750000   397500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25453e+03    2.32156e+04    1.63749e+04    1.34494e+03   -4.33441e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23016e+03    1.44348e+05    2.75889e+05   -1.78517e+04   -2.19378e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21290e+04   -1.72718e+06    3.47845e+05   -1.37933e+06    1.96002e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08007e+02   -2.19047e+02    5.17045e+01    3.51744e-06

           Step           Time
      198755000   397510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13376e+03    2.40413e+04    1.63438e+04    1.45190e+03   -4.37250e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20950e+03    1.45113e+05    2.72807e+05   -1.78104e+04   -2.18913e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22002e+04   -1.72401e+06    3.49915e+05   -1.37410e+06    1.96015e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09840e+02   -2.18034e+02    2.80751e+01    3.50915e-06

           Step           Time
      198760000   397520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46142e+03    2.39642e+04    1.64899e+04    1.48059e+03   -4.43104e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08480e+03    1.44908e+05    2.75247e+05   -1.78163e+04   -2.19133e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21683e+04   -1.72378e+06    3.50320e+05   -1.37346e+06    1.96024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10198e+02   -2.18180e+02    4.44802e+01    3.43231e-06

           Step           Time
      198765000   397530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35225e+03    2.36661e+04    1.63343e+04    1.44150e+03   -4.43724e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15935e+03    1.44849e+05    2.73457e+05   -1.78643e+04   -2.19253e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23335e+04   -1.72724e+06    3.50199e+05   -1.37704e+06    1.96024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.19356e+02   -4.22858e+01    3.55549e-06

           Step           Time
      198770000   397540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53656e+03    2.39175e+04    1.63143e+04    1.37619e+03   -4.46956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13885e+03    1.45152e+05    2.75161e+05   -1.78439e+04   -2.19205e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20995e+04   -1.72467e+06    3.49857e+05   -1.37481e+06    1.96037e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09789e+02   -2.18856e+02    3.78746e+01    3.51863e-06

           Step           Time
      198775000   397550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17140e+03    2.35968e+04    1.62375e+04    1.35169e+03   -4.33984e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.33756e+03    1.44707e+05    2.74692e+05   -1.78456e+04   -2.19221e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19485e+04   -1.72636e+06    3.50514e+05   -1.37584e+06    1.96040e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10371e+02   -2.18896e+02    6.10144e+01    3.51718e-06

           Step           Time
      198780000   397560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20448e+03    2.37397e+04    1.63643e+04    1.46820e+03   -4.27872e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14688e+03    1.45029e+05    2.73977e+05   -1.78312e+04   -2.19123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21983e+04   -1.72521e+06    3.50340e+05   -1.37487e+06    1.96051e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10216e+02   -2.18543e+02   -6.09453e+00    3.43775e-06

           Step           Time
      198785000   397570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39320e+03    2.38137e+04    1.62170e+04    1.32640e+03   -4.25229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16340e+03    1.44499e+05    2.71731e+05   -1.78102e+04   -2.18599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21378e+04   -1.72277e+06    3.49465e+05   -1.37331e+06    1.96059e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09441e+02   -2.18031e+02   -6.13198e+01    3.53390e-06

           Step           Time
      198790000   397580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39737e+03    2.37706e+04    1.64728e+04    1.43084e+03   -4.31303e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08773e+03    1.44736e+05    2.76328e+05   -1.78541e+04   -2.19467e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23105e+04   -1.72631e+06    3.50823e+05   -1.37548e+06    1.96070e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10644e+02   -2.19106e+02    5.02311e+01    3.41624e-06

           Step           Time
      198795000   397590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40230e+03    2.34869e+04    1.62445e+04    1.34491e+03   -4.36232e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15681e+03    1.44707e+05    2.75611e+05   -1.78471e+04   -2.19336e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21598e+04   -1.72645e+06    3.49287e+05   -1.37717e+06    1.96079e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09284e+02   -2.18933e+02    7.62644e+01    3.55461e-06

           Step           Time
      198800000   397600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36186e+03    2.38641e+04    1.63889e+04    1.41747e+03   -4.45537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15196e+03    1.44496e+05    2.77150e+05   -1.78299e+04   -2.19380e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21593e+04   -1.72510e+06    3.49158e+05   -1.37594e+06    1.96087e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09170e+02   -2.18511e+02    1.38403e+02    3.38871e-06

           Step           Time
      198805000   397610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59669e+03    2.39620e+04    1.63712e+04    1.22309e+03   -4.31119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07766e+03    1.45157e+05    2.74978e+05   -1.78578e+04   -2.19278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22705e+04   -1.72531e+06    3.51632e+05   -1.37368e+06    1.96094e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11360e+02   -2.19194e+02    1.40928e+00    3.56649e-06

           Step           Time
      198810000   397620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39118e+03    2.38672e+04    1.64319e+04    1.42699e+03   -4.45875e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11620e+03    1.44577e+05    2.73236e+05   -1.78139e+04   -2.18894e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23442e+04   -1.72383e+06    3.51014e+05   -1.37281e+06    1.96099e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10813e+02   -2.18121e+02   -4.72235e+01    3.47710e-06

           Step           Time
      198815000   397630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29811e+03    2.41346e+04    1.65412e+04    1.38840e+03   -4.40577e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.96900e+03    1.45391e+05    2.74614e+05   -1.78249e+04   -2.19125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23070e+04   -1.72384e+06    3.49694e+05   -1.37415e+06    1.96114e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09644e+02   -2.18389e+02   -3.85413e+01    3.44326e-06

Writing checkpoint, step 198815300 at Tue Jun 11 11:54:11 2024


           Step           Time
      198820000   397640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37478e+03    2.37198e+04    1.64853e+04    1.36638e+03   -4.42535e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13217e+03    1.44940e+05    2.76735e+05   -1.78455e+04   -2.19577e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20715e+04   -1.72721e+06    3.48719e+05   -1.37849e+06    1.96119e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08781e+02   -2.18894e+02    4.42609e+01    3.48016e-06

           Step           Time
      198825000   397650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58715e+03    2.38519e+04    1.63963e+04    1.47871e+03   -4.39204e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08718e+03    1.45166e+05    2.75849e+05   -1.78779e+04   -2.19478e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20733e+04   -1.72656e+06    3.50365e+05   -1.37619e+06    1.96133e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10238e+02   -2.19688e+02    6.89910e+01    3.54117e-06

           Step           Time
      198830000   397660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52709e+03    2.36642e+04    1.62738e+04    1.43347e+03   -4.36627e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08280e+03    1.45222e+05    2.73930e+05   -1.78442e+04   -2.19433e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21908e+04   -1.72822e+06    3.50590e+05   -1.37763e+06    1.96131e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10437e+02   -2.18861e+02   -7.25702e+01    3.49026e-06

           Step           Time
      198835000   397670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29870e+03    2.31864e+04    1.63395e+04    1.43446e+03   -4.37505e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06280e+03    1.45476e+05    2.76106e+05   -1.78108e+04   -2.19532e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21838e+04   -1.72742e+06    3.50752e+05   -1.37667e+06    1.96142e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10581e+02   -2.18045e+02    3.33954e+00    3.45849e-06

           Step           Time
      198840000   397680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.68523e+03    2.33570e+04    1.62211e+04    1.37116e+03   -4.34644e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.93253e+03    1.45348e+05    2.76631e+05   -1.78121e+04   -2.19541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22596e+04   -1.72676e+06    3.48869e+05   -1.37790e+06    1.96154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08913e+02   -2.18076e+02   -1.56903e+01    3.42398e-06

           Step           Time
      198845000   397690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50537e+03    2.39767e+04    1.62832e+04    1.32195e+03   -4.36436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01754e+03    1.45216e+05    2.74026e+05   -1.78392e+04   -2.19210e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19570e+04   -1.72600e+06    3.50749e+05   -1.37525e+06    1.96160e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10579e+02   -2.18741e+02   -2.87256e+01    3.40740e-06

           Step           Time
      198850000   397700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26220e+03    2.37215e+04    1.63616e+04    1.41444e+03   -4.42306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09048e+03    1.45436e+05    2.74351e+05   -1.78293e+04   -2.19346e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20945e+04   -1.72698e+06    3.51772e+05   -1.37521e+06    1.96162e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11485e+02   -2.18497e+02    2.49927e+01    3.57658e-06

           Step           Time
      198855000   397710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49660e+03    2.35747e+04    1.64213e+04    1.39047e+03   -4.40444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21243e+03    1.45380e+05    2.72764e+05   -1.78440e+04   -2.19162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21705e+04   -1.72646e+06    3.50991e+05   -1.37547e+06    1.96172e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10793e+02   -2.18857e+02   -7.65250e+00    3.45623e-06

           Step           Time
      198860000   397720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42070e+03    2.39140e+04    1.63699e+04    1.34265e+03   -4.43743e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98662e+03    1.45000e+05    2.74124e+05   -1.78083e+04   -2.19095e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23166e+04   -1.72473e+06    3.49297e+05   -1.37543e+06    1.96182e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09293e+02   -2.17983e+02    5.80889e+00    3.42017e-06

           Step           Time
      198865000   397730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37984e+03    2.40843e+04    1.63024e+04    1.29460e+03   -4.27386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00495e+03    1.45530e+05    2.73300e+05   -1.78204e+04   -2.18951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22024e+04   -1.72351e+06    3.49628e+05   -1.37388e+06    1.96192e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09586e+02   -2.18280e+02   -4.13425e+01    3.57309e-06

           Step           Time
      198870000   397740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43643e+03    2.34736e+04    1.63676e+04    1.36351e+03   -4.39841e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00372e+03    1.45253e+05    2.73990e+05   -1.78212e+04   -2.19164e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20409e+04   -1.72593e+06    3.47882e+05   -1.37804e+06    1.96200e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08039e+02   -2.18299e+02   -9.64353e+01    3.50310e-06

           Step           Time
      198875000   397750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42762e+03    2.40026e+04    1.65990e+04    1.40745e+03   -4.46825e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05858e+03    1.45177e+05    2.74699e+05   -1.78763e+04   -2.19320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21757e+04   -1.72600e+06    3.50902e+05   -1.37509e+06    1.96206e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10714e+02   -2.19649e+02    1.94727e+01    3.45235e-06

           Step           Time
      198880000   397760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38683e+03    2.40246e+04    1.65193e+04    1.43230e+03   -4.43996e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15127e+03    1.45537e+05    2.74918e+05   -1.78254e+04   -2.19270e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23107e+04   -1.72469e+06    3.51867e+05   -1.37282e+06    1.96216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11569e+02   -2.18403e+02    1.18552e+02    3.51250e-06

           Step           Time
      198885000   397770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07623e+03    2.33557e+04    1.62152e+04    1.40936e+03   -4.29657e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.32239e+03    1.45450e+05    2.76127e+05   -1.78726e+04   -2.19685e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20232e+04   -1.72904e+06    3.49701e+05   -1.37934e+06    1.96223e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09651e+02   -2.19559e+02    1.68144e+02    3.56561e-06

           Step           Time
      198890000   397780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36303e+03    2.38998e+04    1.61556e+04    1.45334e+03   -4.36211e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14929e+03    1.45367e+05    2.73596e+05   -1.77923e+04   -2.18821e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22240e+04   -1.72216e+06    3.50411e+05   -1.37175e+06    1.96221e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10279e+02   -2.17592e+02    1.75900e+01    3.52888e-06

           Step           Time
      198895000   397790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35685e+03    2.37434e+04    1.62758e+04    1.36552e+03   -4.38415e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22654e+03    1.45183e+05    2.75837e+05   -1.78725e+04   -2.19275e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22596e+04   -1.72476e+06    3.50703e+05   -1.37406e+06    1.96235e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.19557e+02    1.25344e+02    3.47128e-06

           Step           Time
      198900000   397800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23560e+03    2.39622e+04    1.63547e+04    1.31528e+03   -4.29021e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15627e+03    1.44858e+05    2.70623e+05   -1.78158e+04   -2.18786e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24020e+04   -1.72506e+06    3.50476e+05   -1.37459e+06    1.96247e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10337e+02   -2.18167e+02   -1.04986e+02    3.53733e-06

           Step           Time
      198905000   397810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.71143e+03    2.38453e+04    1.64607e+04    1.41045e+03   -4.35430e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04685e+03    1.45292e+05    2.72428e+05   -1.78186e+04   -2.18781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21968e+04   -1.72259e+06    3.51095e+05   -1.37149e+06    1.96255e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10885e+02   -2.18236e+02   -9.71274e+01    3.80048e-06

           Step           Time
      198910000   397820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48275e+03    2.38063e+04    1.62089e+04    1.39641e+03   -4.45119e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23558e+03    1.44631e+05    2.74415e+05   -1.78345e+04   -2.18992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21181e+04   -1.72392e+06    3.50883e+05   -1.37303e+06    1.96254e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10697e+02   -2.18625e+02    6.09874e+01    3.56604e-06

           Step           Time
      198915000   397830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49884e+03    2.38926e+04    1.65315e+04    1.47532e+03   -4.41856e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18717e+03    1.44449e+05    2.74595e+05   -1.78553e+04   -2.19073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21848e+04   -1.72418e+06    3.51753e+05   -1.37243e+06    1.96263e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11467e+02   -2.19135e+02    4.78981e+01    3.54814e-06

           Step           Time
      198920000   397840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.15353e+03    2.40357e+04    1.64093e+04    1.38775e+03   -4.38537e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22488e+03    1.44768e+05    2.71202e+05   -1.78473e+04   -2.18805e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22897e+04   -1.72481e+06    3.49864e+05   -1.37495e+06    1.96269e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09795e+02   -2.18939e+02   -7.96688e+01    3.38492e-06

           Step           Time
      198925000   397850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35433e+03    2.39769e+04    1.62916e+04    1.36809e+03   -4.35319e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20250e+03    1.44975e+05    2.73901e+05   -1.78378e+04   -2.19056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20430e+04   -1.72463e+06    3.48058e+05   -1.37658e+06    1.96284e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08196e+02   -2.18706e+02    6.33328e+01    3.46509e-06

           Step           Time
      198930000   397860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42881e+03    2.41791e+04    1.63037e+04    1.34952e+03   -4.44809e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.33092e+03    1.45039e+05    2.75697e+05   -1.78476e+04   -2.19263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22727e+04   -1.72432e+06    3.51165e+05   -1.37316e+06    1.96289e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10947e+02   -2.18944e+02    1.46049e+02    3.55482e-06

           Step           Time
      198935000   397870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52686e+03    2.36496e+04    1.63401e+04    1.38050e+03   -4.27479e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13937e+03    1.45311e+05    2.75958e+05   -1.78254e+04   -2.19256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20524e+04   -1.72430e+06    3.50565e+05   -1.37374e+06    1.96295e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10416e+02   -2.18403e+02    1.33692e+02    3.53051e-06

           Step           Time
      198940000   397880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39055e+03    2.36983e+04    1.63032e+04    1.33514e+03   -4.46327e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09335e+03    1.45294e+05    2.72730e+05   -1.78145e+04   -2.19098e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22554e+04   -1.72616e+06    3.48845e+05   -1.37731e+06    1.96303e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08893e+02   -2.18136e+02   -7.74130e+01    3.57609e-06

           Step           Time
      198945000   397890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27297e+03    2.37712e+04    1.63417e+04    1.45208e+03   -4.42744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13559e+03    1.44572e+05    2.72843e+05   -1.78535e+04   -2.18800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23111e+04   -1.72358e+06    3.49192e+05   -1.37439e+06    1.96310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09200e+02   -2.19091e+02    7.52350e+00    3.53076e-06

           Step           Time
      198950000   397900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16122e+03    2.32382e+04    1.65390e+04    1.43232e+03   -4.29071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11755e+03    1.45497e+05    2.73922e+05   -1.78094e+04   -2.19256e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20795e+04   -1.72668e+06    3.49243e+05   -1.37743e+06    1.96313e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09245e+02   -2.18010e+02   -5.59055e+01    3.43022e-06

           Step           Time
      198955000   397910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38309e+03    2.37222e+04    1.64676e+04    1.43319e+03   -4.42199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11799e+03    1.45089e+05    2.73956e+05   -1.77937e+04   -2.19071e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24052e+04   -1.72435e+06    3.49797e+05   -1.37456e+06    1.96324e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09735e+02   -2.17626e+02   -3.55753e+01    3.55583e-06

           Step           Time
      198960000   397920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35129e+03    2.37057e+04    1.62243e+04    1.48784e+03   -4.24123e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17059e+03    1.45030e+05    2.71798e+05   -1.78061e+04   -2.18823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23444e+04   -1.72417e+06    3.49546e+05   -1.37462e+06    1.96332e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09513e+02   -2.17931e+02   -1.11859e+02    3.56103e-06

           Step           Time
      198965000   397930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31165e+03    2.38358e+04    1.62054e+04    1.48945e+03   -4.34519e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24320e+03    1.45303e+05    2.76063e+05   -1.78357e+04   -2.19293e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22953e+04   -1.72437e+06    3.49055e+05   -1.37531e+06    1.96345e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09078e+02   -2.18655e+02    1.27616e+02    3.48408e-06

           Step           Time
      198970000   397940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38861e+03    2.36827e+04    1.64595e+04    1.38840e+03   -4.23086e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10958e+03    1.45018e+05    2.74275e+05   -1.77898e+04   -2.19150e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24759e+04   -1.72472e+06    3.50929e+05   -1.37380e+06    1.96349e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10737e+02   -2.17530e+02   -5.77959e+00    3.48697e-06

           Step           Time
      198975000   397950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54183e+03    2.41727e+04    1.63302e+04    1.41882e+03   -4.40009e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06619e+03    1.44888e+05    2.73749e+05   -1.78271e+04   -2.18950e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24031e+04   -1.72316e+06    3.48890e+05   -1.37427e+06    1.96361e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08932e+02   -2.18444e+02   -3.73283e+01    3.43032e-06

           Step           Time
      198980000   397960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33725e+03    2.39496e+04    1.63044e+04    1.34384e+03   -4.44044e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22026e+03    1.44955e+05    2.76361e+05   -1.78379e+04   -2.19400e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22970e+04   -1.72551e+06    3.50742e+05   -1.37477e+06    1.96367e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10572e+02   -2.18707e+02    1.28356e+02    3.65495e-06

           Step           Time
      198985000   397970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26039e+03    2.36742e+04    1.63063e+04    1.40841e+03   -4.29215e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03206e+03    1.45468e+05    2.74710e+05   -1.78543e+04   -2.19241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20277e+04   -1.72567e+06    3.48921e+05   -1.37675e+06    1.96373e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08960e+02   -2.19109e+02    9.05240e-02    3.45292e-06

           Step           Time
      198990000   397980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47575e+03    2.37890e+04    1.64018e+04    1.30794e+03   -4.37287e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13970e+03    1.44962e+05    2.75245e+05   -1.78221e+04   -2.19154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22810e+04   -1.72413e+06    3.52231e+05   -1.37190e+06    1.96385e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11890e+02   -2.18322e+02    4.11573e+01    3.43894e-06

           Step           Time
      198995000   397990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34428e+03    2.32747e+04    1.63525e+04    1.36794e+03   -4.42795e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15776e+03    1.44834e+05    2.72643e+05   -1.78098e+04   -2.19211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23208e+04   -1.72805e+06    3.51244e+05   -1.37681e+06    1.96389e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11017e+02   -2.18021e+02   -1.15193e+02    3.51564e-06

           Step           Time
      199000000   398000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31200e+03    2.41284e+04    1.64605e+04    1.31650e+03   -4.45314e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14414e+03    1.44570e+05    2.74294e+05   -1.77985e+04   -2.18877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21783e+04   -1.72262e+06    3.50601e+05   -1.37202e+06    1.96402e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10448e+02   -2.17743e+02   -5.61593e+00    3.57595e-06

           Step           Time
      199005000   398010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27522e+03    2.39171e+04    1.62175e+04    1.41208e+03   -4.37306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11928e+03    1.44902e+05    2.73312e+05   -1.78552e+04   -2.19207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22794e+04   -1.72687e+06    3.48877e+05   -1.37799e+06    1.96412e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08921e+02   -2.19132e+02   -5.86460e+01    3.38336e-06

           Step           Time
      199010000   398020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19104e+03    2.38618e+04    1.61240e+04    1.30214e+03   -4.42387e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14184e+03    1.45224e+05    2.72323e+05   -1.78150e+04   -2.18992e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22087e+04   -1.72578e+06    3.51037e+05   -1.37475e+06    1.96413e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10833e+02   -2.18147e+02   -1.43497e+02    3.75343e-06

           Step           Time
      199015000   398030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56233e+03    2.36869e+04    1.61105e+04    1.40537e+03   -4.39983e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.78786e+03    1.45232e+05    2.72117e+05   -1.77948e+04   -2.18987e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23309e+04   -1.72583e+06    3.49049e+05   -1.37678e+06    1.96420e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09073e+02   -2.17654e+02   -2.43257e+02    3.35216e-06

           Step           Time
      199020000   398040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.14287e+03    2.38426e+04    1.63719e+04    1.30693e+03   -4.31871e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23691e+03    1.45212e+05    2.74086e+05   -1.77933e+04   -2.19004e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24887e+04   -1.72346e+06    3.50043e+05   -1.37342e+06    1.96435e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09953e+02   -2.17618e+02    2.90466e+01    3.68258e-06

           Step           Time
      199025000   398050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49993e+03    2.39291e+04    1.63985e+04    1.38144e+03   -4.58420e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14292e+03    1.44847e+05    2.75701e+05   -1.78226e+04   -2.19244e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20788e+04   -1.72487e+06    3.51302e+05   -1.37357e+06    1.96439e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11068e+02   -2.18333e+02    6.55313e+01    3.55385e-06

           Step           Time
      199030000   398060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44996e+03    2.39768e+04    1.64672e+04    1.41648e+03   -4.37293e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25698e+03    1.44587e+05    2.72729e+05   -1.78239e+04   -2.18924e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22801e+04   -1.72428e+06    3.49850e+05   -1.37443e+06    1.96447e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09782e+02   -2.18366e+02   -2.01258e+01    3.43244e-06

           Step           Time
      199035000   398070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61441e+03    2.37131e+04    1.64275e+04    1.43243e+03   -4.34301e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20131e+03    1.43991e+05    2.77680e+05   -1.78393e+04   -2.19445e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20765e+04   -1.72550e+06    3.50552e+05   -1.37495e+06    1.96451e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10404e+02   -2.18742e+02    1.23618e+02    3.52116e-06

           Step           Time
      199040000   398080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55404e+03    2.36173e+04    1.64414e+04    1.36104e+03   -4.44488e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12743e+03    1.44910e+05    2.72379e+05   -1.77783e+04   -2.18781e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22186e+04   -1.72342e+06    3.49763e+05   -1.37366e+06    1.96460e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09705e+02   -2.17251e+02   -1.14585e+02    3.40025e-06

           Step           Time
      199045000   398090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56313e+03    2.37361e+04    1.62953e+04    1.41587e+03   -4.39322e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08870e+03    1.45320e+05    2.77627e+05   -1.78563e+04   -2.19628e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22250e+04   -1.72626e+06    3.50833e+05   -1.37543e+06    1.96474e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10653e+02   -2.19159e+02    1.64463e+02    3.56438e-06

           Step           Time
      199050000   398100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26181e+03    2.40292e+04    1.64016e+04    1.48002e+03   -4.30881e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21717e+03    1.45311e+05    2.73092e+05   -1.78572e+04   -2.19013e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22187e+04   -1.72428e+06    3.49859e+05   -1.37442e+06    1.96484e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09790e+02   -2.19182e+02    8.29307e+01    3.57627e-06

           Step           Time
      199055000   398110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24536e+03    2.36051e+04    1.63873e+04    1.38878e+03   -4.29396e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23477e+03    1.45216e+05    2.74147e+05   -1.78212e+04   -2.19225e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23759e+04   -1.72576e+06    3.49538e+05   -1.37622e+06    1.96492e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09507e+02   -2.18298e+02   -2.78616e+01    3.37180e-06

           Step           Time
      199060000   398120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24358e+03    2.35782e+04    1.64228e+04    1.40703e+03   -4.33747e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19206e+03    1.44933e+05    2.74630e+05   -1.78494e+04   -2.19447e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23306e+04   -1.72792e+06    3.49948e+05   -1.37797e+06    1.96501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09869e+02   -2.18990e+02    5.90959e+01    3.44111e-06

           Step           Time
      199065000   398130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29114e+03    2.33187e+04    1.63766e+04    1.29921e+03   -4.36323e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19265e+03    1.45155e+05    2.74733e+05   -1.78343e+04   -2.19291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21404e+04   -1.72660e+06    3.48356e+05   -1.37824e+06    1.96501e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08459e+02   -2.18619e+02    1.18117e+02    3.43738e-06

           Step           Time
      199070000   398140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34360e+03    2.40078e+04    1.63990e+04    1.42663e+03   -4.24071e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05574e+03    1.44880e+05    2.77992e+05   -1.78386e+04   -2.19680e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21659e+04   -1.72661e+06    3.51078e+05   -1.37553e+06    1.96511e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10869e+02   -2.18726e+02    1.31104e+02    3.57763e-06

           Step           Time
      199075000   398150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26587e+03    2.40535e+04    1.63749e+04    1.43985e+03   -4.33494e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16089e+03    1.45179e+05    2.73172e+05   -1.78082e+04   -2.19032e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21595e+04   -1.72466e+06    3.51562e+05   -1.37310e+06    1.96518e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11299e+02   -2.17981e+02   -3.29651e+00    3.52670e-06

           Step           Time
      199080000   398160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29758e+03    2.36658e+04    1.63099e+04    1.47675e+03   -4.21952e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09100e+03    1.45590e+05    2.74936e+05   -1.78486e+04   -2.19182e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21172e+04   -1.72440e+06    3.48628e+05   -1.37577e+06    1.96529e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08700e+02   -2.18971e+02    8.75900e+01    3.50014e-06

           Step           Time
      199085000   398170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32920e+03    2.34809e+04    1.63329e+04    1.31703e+03   -4.25110e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02063e+03    1.45415e+05    2.70735e+05   -1.78308e+04   -2.18930e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22206e+04   -1.72653e+06    3.49755e+05   -1.37677e+06    1.96534e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09698e+02   -2.18534e+02   -1.51824e+02    3.46025e-06

           Step           Time
      199090000   398180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56990e+03    2.38195e+04    1.64490e+04    1.37634e+03   -4.47882e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11534e+03    1.45041e+05    2.76312e+05   -1.78365e+04   -2.19470e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21197e+04   -1.72621e+06    3.50644e+05   -1.37557e+06    1.96546e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10486e+02   -2.18672e+02    4.90032e+01    3.54242e-06

           Step           Time
      199095000   398190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50458e+03    2.39135e+04    1.63323e+04    1.36702e+03   -4.35530e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23967e+03    1.45502e+05    2.74860e+05   -1.78139e+04   -2.19325e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21560e+04   -1.72554e+06    3.49031e+05   -1.37651e+06    1.96560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09057e+02   -2.18119e+02    1.69554e+01    3.53063e-06

           Step           Time
      199100000   398200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.91874e+03    2.41486e+04    1.63759e+04    1.37208e+03   -4.30667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.92518e+03    1.45237e+05    2.78934e+05   -1.78085e+04   -2.19494e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21567e+04   -1.72299e+06    3.51670e+05   -1.37132e+06    1.96568e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11394e+02   -2.17989e+02    4.52506e+01    3.37893e-06

           Step           Time
      199105000   398210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13154e+03    2.37283e+04    1.64319e+04    1.44034e+03   -4.34516e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20841e+03    1.45635e+05    2.71634e+05   -1.78185e+04   -2.18976e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22391e+04   -1.72547e+06    3.50029e+05   -1.37545e+06    1.96570e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.18233e+02   -1.08856e+02    3.47574e-06

           Step           Time
      199110000   398220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37660e+03    2.39253e+04    1.63965e+04    1.38053e+03   -4.39170e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02307e+03    1.45322e+05    2.74500e+05   -1.78435e+04   -2.19263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22129e+04   -1.72573e+06    3.50781e+05   -1.37495e+06    1.96580e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10607e+02   -2.18845e+02    6.95833e+00    3.50961e-06

           Step           Time
      199115000   398230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49363e+03    2.37438e+04    1.64911e+04    1.37349e+03   -4.38233e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22549e+03    1.45818e+05    2.75929e+05   -1.77906e+04   -2.19458e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23565e+04   -1.72533e+06    3.50662e+05   -1.37466e+06    1.96591e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10501e+02   -2.17550e+02    5.80025e+01    3.50842e-06

           Step           Time
      199120000   398240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63358e+03    2.36744e+04    1.62702e+04    1.36105e+03   -4.38929e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13267e+03    1.44720e+05    2.72822e+05   -1.78028e+04   -2.18757e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22628e+04   -1.72289e+06    3.51833e+05   -1.37106e+06    1.96590e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11539e+02   -2.17849e+02   -7.88624e+01    3.53322e-06

           Step           Time
      199125000   398250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28216e+03    2.38631e+04    1.62507e+04    1.32789e+03   -4.31922e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01450e+03    1.45571e+05    2.76588e+05   -1.78268e+04   -2.19599e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20901e+04   -1.72715e+06    3.50579e+05   -1.37657e+06    1.96603e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10428e+02   -2.18436e+02    1.09640e+02    3.37987e-06

           Step           Time
      199130000   398260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.58826e+03    2.38245e+04    1.64331e+04    1.40489e+03   -4.33409e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15241e+03    1.45303e+05    2.76006e+05   -1.78681e+04   -2.19303e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20490e+04   -1.72447e+06    3.50116e+05   -1.37435e+06    1.96610e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10018e+02   -2.19449e+02    1.07555e+02    3.49022e-06

           Step           Time
      199135000   398270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22909e+03    2.41243e+04    1.64022e+04    1.40062e+03   -4.41167e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16836e+03    1.45462e+05    2.73844e+05   -1.78204e+04   -2.19011e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23874e+04   -1.72332e+06    3.49678e+05   -1.37365e+06    1.96620e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09630e+02   -2.18279e+02    3.15436e+01    3.50525e-06

           Step           Time
      199140000   398280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.23384e+03    2.40334e+04    1.63981e+04    1.33111e+03   -4.34612e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15364e+03    1.45650e+05    2.71186e+05   -1.78173e+04   -2.18626e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23549e+04   -1.72208e+06    3.50543e+05   -1.37153e+06    1.96630e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10396e+02   -2.18203e+02   -1.14929e+02    3.58251e-06

           Step           Time
      199145000   398290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.05962e+03    2.36375e+04    1.64735e+04    1.35691e+03   -4.39826e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12304e+03    1.45443e+05    2.74041e+05   -1.77906e+04   -2.19061e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21488e+04   -1.72452e+06    3.50767e+05   -1.37375e+06    1.96632e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10594e+02   -2.17550e+02    3.64715e+01    3.45359e-06

           Step           Time
      199150000   398300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55182e+03    2.37329e+04    1.64920e+04    1.29698e+03   -4.52017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04174e+03    1.44740e+05    2.73904e+05   -1.78618e+04   -2.19040e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22464e+04   -1.72478e+06    3.52105e+05   -1.37267e+06    1.96638e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11780e+02   -2.19294e+02   -8.31930e+00    3.67564e-06

           Step           Time
      199155000   398310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.78551e+03    2.41258e+04    1.63743e+04    1.40524e+03   -4.42291e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95843e+03    1.44639e+05    2.73978e+05   -1.77957e+04   -2.18847e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21842e+04   -1.72224e+06    3.49354e+05   -1.37289e+06    1.96655e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09343e+02   -2.17675e+02   -3.88136e+01    3.42456e-06

           Step           Time
      199160000   398320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35591e+03    2.34854e+04    1.63066e+04    1.38811e+03   -4.38362e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17552e+03    1.45082e+05    2.72245e+05   -1.78079e+04   -2.18823e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22710e+04   -1.72411e+06    3.50218e+05   -1.37390e+06    1.96651e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10108e+02   -2.17973e+02   -9.48792e+01    3.59542e-06

           Step           Time
      199165000   398330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32573e+03    2.35275e+04    1.61849e+04    1.35833e+03   -4.33628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04362e+03    1.45446e+05    2.74180e+05   -1.78530e+04   -2.19188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21226e+04   -1.72588e+06    3.47699e+05   -1.37818e+06    1.96667e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07878e+02   -2.19078e+02   -2.04600e+01    3.50900e-06

           Step           Time
      199170000   398340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53646e+03    2.36374e+04    1.64041e+04    1.42206e+03   -4.38546e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20393e+03    1.44954e+05    2.74242e+05   -1.78564e+04   -2.19211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21644e+04   -1.72579e+06    3.49704e+05   -1.37609e+06    1.96675e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09653e+02   -2.19162e+02    9.41606e+00    3.47258e-06

           Step           Time
      199175000   398350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48300e+03    2.38063e+04    1.64216e+04    1.40749e+03   -4.37723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07724e+03    1.44580e+05    2.71325e+05   -1.77973e+04   -2.18618e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22657e+04   -1.72299e+06    3.49393e+05   -1.37360e+06    1.96685e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09378e+02   -2.17716e+02   -5.48536e+01    3.57949e-06

           Step           Time
      199180000   398360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38018e+03    2.34480e+04    1.63761e+04    1.39811e+03   -4.32090e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07450e+03    1.45097e+05    2.73802e+05   -1.78748e+04   -2.19119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24047e+04   -1.72540e+06    3.51740e+05   -1.37366e+06    1.96689e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11456e+02   -2.19613e+02    4.00566e+01    3.52428e-06

           Step           Time
      199185000   398370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20733e+03    2.37218e+04    1.63442e+04    1.41099e+03   -4.48723e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22622e+03    1.44910e+05    2.74089e+05   -1.77892e+04   -2.19121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21151e+04   -1.72546e+06    3.49674e+05   -1.37579e+06    1.96701e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09626e+02   -2.17517e+02   -5.53892e-01    3.51822e-06

           Step           Time
      199190000   398380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27586e+03    2.36862e+04    1.63662e+04    1.40857e+03   -4.34941e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16845e+03    1.45130e+05    2.72435e+05   -1.78382e+04   -2.18896e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23210e+04   -1.72435e+06    3.49103e+05   -1.37525e+06    1.96712e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09121e+02   -2.18716e+02   -6.43363e+01    3.39863e-06

           Step           Time
      199195000   398390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53036e+03    2.37236e+04    1.64656e+04    1.50227e+03   -4.42126e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09191e+03    1.44832e+05    2.72989e+05   -1.77855e+04   -2.18915e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21410e+04   -1.72408e+06    3.50798e+05   -1.37328e+06    1.96720e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10622e+02   -2.17425e+02   -6.43322e+01    3.56003e-06

           Step           Time
      199200000   398400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24360e+03    2.33767e+04    1.59954e+04    1.31312e+03   -4.34534e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26270e+03    1.45340e+05    2.73249e+05   -1.78484e+04   -2.19135e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20783e+04   -1.72669e+06    3.49081e+05   -1.37761e+06    1.96728e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09102e+02   -2.18965e+02   -7.93685e+00    3.60799e-06

           Step           Time
      199205000   398410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59875e+03    2.36625e+04    1.63973e+04    1.32731e+03   -4.35639e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17401e+03    1.44751e+05    2.75075e+05   -1.78208e+04   -2.19075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21012e+04   -1.72384e+06    3.52321e+05   -1.37152e+06    1.96735e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11971e+02   -2.18289e+02   -4.02248e+01    3.61486e-06

           Step           Time
      199210000   398420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44248e+03    2.36540e+04    1.62607e+04    1.38633e+03   -4.28745e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03367e+03    1.44632e+05    2.73384e+05   -1.78431e+04   -2.19207e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21938e+04   -1.72722e+06    3.49450e+05   -1.37776e+06    1.96743e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09428e+02   -2.18834e+02   -1.06315e+02    3.51279e-06

           Step           Time
      199215000   398430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.67175e+03    2.39400e+04    1.63747e+04    1.35704e+03   -4.23992e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04400e+03    1.45105e+05    2.74666e+05   -1.78322e+04   -2.19051e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23251e+04   -1.72309e+06    3.49947e+05   -1.37315e+06    1.96747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09869e+02   -2.18568e+02    5.26007e+01    3.55126e-06

           Step           Time
      199220000   398440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29069e+03    2.35887e+04    1.62002e+04    1.27802e+03   -4.41593e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27596e+03    1.45663e+05    2.76151e+05   -1.78540e+04   -2.19601e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21845e+04   -1.72765e+06    3.49179e+05   -1.37847e+06    1.96756e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09188e+02   -2.19102e+02    1.00684e+02    3.41445e-06

           Step           Time
      199225000   398450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50389e+03    2.38672e+04    1.63747e+04    1.39523e+03   -4.39576e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23829e+03    1.45335e+05    2.72985e+05   -1.78177e+04   -2.18849e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21819e+04   -1.72282e+06    3.52343e+05   -1.37048e+06    1.96766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11990e+02   -2.18212e+02   -2.77903e+01    3.45269e-06

           Step           Time
      199230000   398460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36096e+03    2.35914e+04    1.63366e+04    1.35874e+03   -4.47712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.24692e+03    1.45153e+05    2.74172e+05   -1.78234e+04   -2.19309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18866e+04   -1.72729e+06    3.50435e+05   -1.37685e+06    1.96770e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10300e+02   -2.18354e+02    3.01638e+00    3.45033e-06

           Step           Time
      199235000   398470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20399e+03    2.37028e+04    1.62605e+04    1.40382e+03   -4.40897e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18096e+03    1.45579e+05    2.75259e+05   -1.78300e+04   -2.19241e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22876e+04   -1.72477e+06    3.48748e+05   -1.37602e+06    1.96783e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08807e+02   -2.18515e+02    7.52070e+01    3.43251e-06

           Step           Time
      199240000   398480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42437e+03    2.36638e+04    1.65522e+04    1.49229e+03   -4.43653e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09387e+03    1.45543e+05    2.75388e+05   -1.77805e+04   -2.19322e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23660e+04   -1.72491e+06    3.51170e+05   -1.37374e+06    1.96788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10951e+02   -2.17304e+02    2.10339e+01    3.46780e-06

           Step           Time
      199245000   398490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38081e+03    2.41134e+04    1.65230e+04    1.44942e+03   -4.41665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17211e+03    1.45506e+05    2.75913e+05   -1.78787e+04   -2.19355e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22873e+04   -1.72450e+06    3.49455e+05   -1.37505e+06    1.96803e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09433e+02   -2.19709e+02    1.50191e+02    3.41150e-06

           Step           Time
      199250000   398500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40478e+03    2.37150e+04    1.64155e+04    1.36711e+03   -4.29084e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04774e+03    1.45841e+05    2.72784e+05   -1.78295e+04   -2.19084e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23762e+04   -1.72501e+06    3.48206e+05   -1.37680e+06    1.96810e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08327e+02   -2.18502e+02   -1.04275e+02    3.38994e-06

           Step           Time
      199255000   398510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32333e+03    2.34054e+04    1.64105e+04    1.41571e+03   -4.22667e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25027e+03    1.45792e+05    2.72464e+05   -1.78266e+04   -2.18906e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23081e+04   -1.72374e+06    3.49759e+05   -1.37398e+06    1.96812e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09702e+02   -2.18432e+02   -1.80453e+01    3.52124e-06

           Step           Time
      199260000   398520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37555e+03    2.34479e+04    1.62798e+04    1.36483e+03   -4.32382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15637e+03    1.45861e+05    2.74250e+05   -1.78546e+04   -2.19333e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23235e+04   -1.72645e+06    3.49484e+05   -1.37696e+06    1.96825e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09459e+02   -2.19116e+02   -1.78332e+00    3.67480e-06

           Step           Time
      199265000   398530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69140e+03    2.35507e+04    1.63891e+04    1.35084e+03   -4.19671e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11468e+03    1.45641e+05    2.72374e+05   -1.78438e+04   -2.19025e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22445e+04   -1.72493e+06    3.50130e+05   -1.37480e+06    1.96835e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10031e+02   -2.18852e+02   -1.05985e+02    3.57664e-06

           Step           Time
      199270000   398540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47584e+03    2.32534e+04    1.63928e+04    1.39722e+03   -4.41331e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19528e+03    1.45651e+05    2.72570e+05   -1.78423e+04   -2.19041e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21372e+04   -1.72560e+06    3.51078e+05   -1.37452e+06    1.96841e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10870e+02   -2.18815e+02   -7.93037e+01    3.56297e-06

           Step           Time
      199275000   398550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49172e+03    2.37839e+04    1.65936e+04    1.44578e+03   -4.47463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02891e+03    1.45427e+05    2.72648e+05   -1.77714e+04   -2.18853e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22872e+04   -1.72307e+06    3.50716e+05   -1.37235e+06    1.96850e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10549e+02   -2.17082e+02   -1.58469e+02    3.53220e-06

           Step           Time
      199280000   398560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21277e+03    2.33935e+04    1.63183e+04    1.32397e+03   -4.23499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05472e+03    1.45394e+05    2.72363e+05   -1.78230e+04   -2.19039e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23949e+04   -1.72599e+06    3.48388e+05   -1.37760e+06    1.96859e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08488e+02   -2.18342e+02   -6.74131e+01    3.56559e-06

           Step           Time
      199285000   398570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27528e+03    2.36429e+04    1.64974e+04    1.37735e+03   -4.37405e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16396e+03    1.45165e+05    2.72233e+05   -1.77826e+04   -2.18940e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22720e+04   -1.72493e+06    3.51253e+05   -1.37367e+06    1.96864e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11025e+02   -2.17355e+02   -8.65429e+01    3.54862e-06

           Step           Time
      199290000   398580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12454e+03    2.37331e+04    1.65624e+04    1.38623e+03   -4.43325e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28140e+03    1.45748e+05    2.74804e+05   -1.78721e+04   -2.19263e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22631e+04   -1.72504e+06    3.49083e+05   -1.37595e+06    1.96880e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09103e+02   -2.19546e+02    1.11455e+02    3.55082e-06

           Step           Time
      199295000   398590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28849e+03    2.33493e+04    1.64975e+04    1.47675e+03   -4.32050e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10427e+03    1.45496e+05    2.73010e+05   -1.77907e+04   -2.19056e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22619e+04   -1.72519e+06    3.50912e+05   -1.37428e+06    1.96882e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10723e+02   -2.17553e+02   -1.25385e+02    3.71925e-06

           Step           Time
      199300000   398600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41931e+03    2.36880e+04    1.62015e+04    1.30902e+03   -4.24722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25921e+03    1.46168e+05    2.72528e+05   -1.78272e+04   -2.18938e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21477e+04   -1.72373e+06    3.49552e+05   -1.37418e+06    1.96897e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09519e+02   -2.18446e+02   -3.49928e+01    3.52598e-06

           Step           Time
      199305000   398610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.64522e+03    2.38049e+04    1.62993e+04    1.41877e+03   -4.29335e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22569e+03    1.45488e+05    2.73275e+05   -1.78326e+04   -2.19100e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21765e+04   -1.72479e+06    3.50622e+05   -1.37417e+06    1.96904e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10466e+02   -2.18578e+02   -3.09935e+00    3.62436e-06

           Step           Time
      199310000   398620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41707e+03    2.34109e+04    1.65331e+04    1.32110e+03   -4.20401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19620e+03    1.45353e+05    2.73069e+05   -1.78563e+04   -2.19043e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19435e+04   -1.72525e+06    3.49806e+05   -1.37544e+06    1.96912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09743e+02   -2.19160e+02    3.06402e+01    3.51378e-06

           Step           Time
      199315000   398630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29419e+03    2.38693e+04    1.64651e+04    1.35857e+03   -4.41730e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11574e+03    1.45390e+05    2.73116e+05   -1.78098e+04   -2.18978e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21494e+04   -1.72424e+06    3.50394e+05   -1.37385e+06    1.96920e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10264e+02   -2.18021e+02   -2.50175e+01    3.49456e-06

           Step           Time
      199320000   398640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43553e+03    2.37533e+04    1.64177e+04    1.46538e+03   -4.46257e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13421e+03    1.45122e+05    2.74375e+05   -1.78072e+04   -2.19142e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22909e+04   -1.72470e+06    3.50778e+05   -1.37392e+06    1.96930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10604e+02   -2.17957e+02   -2.75648e+01    3.45585e-06

           Step           Time
      199325000   398650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32920e+03    2.37704e+04    1.63361e+04    1.38517e+03   -4.28093e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13630e+03    1.44765e+05    2.72367e+05   -1.78256e+04   -2.18908e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23036e+04   -1.72479e+06    3.48853e+05   -1.37594e+06    1.96932e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08899e+02   -2.18407e+02   -1.12572e+02    3.54950e-06

           Step           Time
      199330000   398660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55625e+03    2.38107e+04    1.63380e+04    1.37891e+03   -4.39679e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17497e+03    1.45021e+05    2.73410e+05   -1.78077e+04   -2.18982e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20972e+04   -1.72424e+06    3.50741e+05   -1.37349e+06    1.96938e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10572e+02   -2.17969e+02   -8.42836e+01    3.46957e-06

           Step           Time
      199335000   398670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.20862e+03    2.39943e+04    1.67083e+04    1.34752e+03   -4.33431e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27030e+03    1.44544e+05    2.76873e+05   -1.78429e+04   -2.19500e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22885e+04   -1.72594e+06    3.51369e+05   -1.37457e+06    1.96946e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11127e+02   -2.18830e+02    1.63051e+02    3.49305e-06

           Step           Time
      199340000   398680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49117e+03    2.36526e+04    1.64507e+04    1.40443e+03   -4.27865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15004e+03    1.45099e+05    2.75554e+05   -1.78378e+04   -2.19183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21759e+04   -1.72397e+06    3.51097e+05   -1.37287e+06    1.96958e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10886e+02   -2.18704e+02    5.33348e+01    3.53307e-06

           Step           Time
      199345000   398690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42118e+03    2.35917e+04    1.61194e+04    1.39934e+03   -4.27359e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13119e+03    1.45378e+05    2.72320e+05   -1.78540e+04   -2.19037e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.18821e+04   -1.72625e+06    3.49506e+05   -1.37675e+06    1.96966e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09478e+02   -2.19102e+02   -8.82638e+01    3.72203e-06

           Step           Time
      199350000   398700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18879e+03    2.32573e+04    1.61532e+04    1.33284e+03   -4.19017e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.23335e+03    1.46062e+05    2.71503e+05   -1.78336e+04   -2.18914e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22901e+04   -1.72514e+06    3.49036e+05   -1.37610e+06    1.96973e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09061e+02   -2.18604e+02   -1.28525e+02    3.64966e-06

           Step           Time
      199355000   398710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45116e+03    2.40490e+04    1.63744e+04    1.39196e+03   -4.45903e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17705e+03    1.45315e+05    2.75753e+05   -1.78278e+04   -2.19454e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22425e+04   -1.72607e+06    3.49301e+05   -1.37677e+06    1.96986e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09296e+02   -2.18461e+02    7.18489e+00    3.63593e-06

           Step           Time
      199360000   398720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25910e+03    2.36691e+04    1.64460e+04    1.29270e+03   -4.39172e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10610e+03    1.45834e+05    2.71626e+05   -1.78157e+04   -2.18983e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23117e+04   -1.72549e+06    3.48978e+05   -1.37651e+06    1.96988e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09010e+02   -2.18165e+02   -1.29940e+02    3.54532e-06

           Step           Time
      199365000   398730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51778e+03    2.36486e+04    1.62480e+04    1.41889e+03   -4.36601e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14173e+03    1.45120e+05    2.74490e+05   -1.78491e+04   -2.19050e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23198e+04   -1.72381e+06    3.50312e+05   -1.37350e+06    1.96997e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10192e+02   -2.18983e+02   -1.08623e+01    3.51032e-06

           Step           Time
      199370000   398740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51900e+03    2.36072e+04    1.63113e+04    1.42186e+03   -4.40770e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03881e+03    1.45286e+05    2.71099e+05   -1.78198e+04   -2.18955e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22145e+04   -1.72628e+06    3.50346e+05   -1.37593e+06    1.97001e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10222e+02   -2.18266e+02   -1.23069e+02    3.62452e-06

           Step           Time
      199375000   398750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29474e+03    2.38581e+04    1.62613e+04    1.35328e+03   -4.47571e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03244e+03    1.45316e+05    2.73298e+05   -1.78532e+04   -2.19233e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21250e+04   -1.72712e+06    3.50776e+05   -1.37635e+06    1.97011e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10602e+02   -2.19082e+02   -1.79328e+01    3.65342e-06

           Step           Time
      199380000   398760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13099e+03    2.36406e+04    1.63982e+04    1.44918e+03   -4.38491e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08095e+03    1.45941e+05    2.71935e+05   -1.78571e+04   -2.19091e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23195e+04   -1.72626e+06    3.46201e+05   -1.38006e+06    1.97024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.06551e+02   -2.19179e+02   -3.74743e+01    3.71302e-06

           Step           Time
      199385000   398770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12699e+03    2.34703e+04    1.64345e+04    1.38163e+03   -4.35557e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16367e+03    1.45369e+05    2.73576e+05   -1.78735e+04   -2.19154e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22170e+04   -1.72603e+06    3.48068e+05   -1.37796e+06    1.97026e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08205e+02   -2.19580e+02    4.43572e+01    3.52322e-06

           Step           Time
      199390000   398780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53552e+03    2.37323e+04    1.63326e+04    1.36248e+03   -4.38640e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12792e+03    1.45591e+05    2.74035e+05   -1.78012e+04   -2.18873e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22953e+04   -1.72191e+06    3.50065e+05   -1.37184e+06    1.97038e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09973e+02   -2.17811e+02    1.54729e+01    3.68861e-06

           Step           Time
      199395000   398790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42465e+03    2.34481e+04    1.65499e+04    1.42234e+03   -4.30712e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15561e+03    1.46196e+05    2.74053e+05   -1.78215e+04   -2.19205e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21152e+04   -1.72481e+06    3.48786e+05   -1.37603e+06    1.97045e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08841e+02   -2.18306e+02    1.43277e+01    3.62235e-06

           Step           Time
      199400000   398800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25175e+03    2.37154e+04    1.64766e+04    1.42595e+03   -4.27112e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21264e+03    1.44915e+05    2.74065e+05   -1.78254e+04   -2.19254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20665e+04   -1.72650e+06    3.50935e+05   -1.37557e+06    1.97051e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10743e+02   -2.18401e+02    2.77474e+01    3.45974e-06

           Step           Time
      199405000   398810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37277e+03    2.39822e+04    1.65073e+04    1.40027e+03   -4.25418e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15096e+03    1.45571e+05    2.73808e+05   -1.78003e+04   -2.19125e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23705e+04   -1.72415e+06    3.49978e+05   -1.37417e+06    1.97062e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09896e+02   -2.17787e+02   -5.08125e+01    3.56145e-06

           Step           Time
      199410000   398820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43846e+03    2.35766e+04    1.61717e+04    1.37181e+03   -4.36890e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10260e+03    1.45538e+05    2.71811e+05   -1.78595e+04   -2.18928e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21221e+04   -1.72538e+06    3.51977e+05   -1.37340e+06    1.97068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11666e+02   -2.19238e+02   -6.65246e+01    3.67818e-06

           Step           Time
      199415000   398830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24087e+03    2.37722e+04    1.64067e+04    1.40366e+03   -4.24292e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05583e+03    1.45728e+05    2.76971e+05   -1.78700e+04   -2.19488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21940e+04   -1.72522e+06    3.50117e+05   -1.37510e+06    1.97082e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10019e+02   -2.19496e+02    1.25145e+02    3.62226e-06

           Step           Time
      199420000   398840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37492e+03    2.35539e+04    1.62735e+04    1.31636e+03   -4.33059e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.94462e+03    1.45832e+05    2.73526e+05   -1.78173e+04   -2.19224e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21866e+04   -1.72638e+06    3.50740e+05   -1.37564e+06    1.97086e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10571e+02   -2.18204e+02   -5.38293e+01    3.54724e-06

           Step           Time
      199425000   398850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41542e+03    2.34412e+04    1.65797e+04    1.32100e+03   -4.21744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.97504e+03    1.46388e+05    2.73825e+05   -1.78002e+04   -2.19201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21601e+04   -1.72493e+06    3.48493e+05   -1.37643e+06    1.97095e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08581e+02   -2.17785e+02   -8.52837e+01    3.56020e-06

           Step           Time
      199430000   398860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55824e+03    2.36965e+04    1.62897e+04    1.31896e+03   -4.29686e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08541e+03    1.45865e+05    2.73212e+05   -1.77701e+04   -2.18836e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23225e+04   -1.72208e+06    3.51962e+05   -1.37011e+06    1.97105e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11653e+02   -2.17051e+02    7.71528e+00    3.55535e-06

           Step           Time
      199435000   398870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55726e+03    2.38822e+04    1.63086e+04    1.40742e+03   -4.41500e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98968e+03    1.45262e+05    2.75152e+05   -1.78238e+04   -2.19115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23657e+04   -1.72346e+06    3.50309e+05   -1.37315e+06    1.97114e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10189e+02   -2.18362e+02    1.76589e+01    3.68339e-06

           Step           Time
      199440000   398880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32954e+03    2.38481e+04    1.63987e+04    1.45279e+03   -4.39620e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12950e+03    1.45289e+05    2.75429e+05   -1.78523e+04   -2.19183e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23366e+04   -1.72386e+06    3.49433e+05   -1.37443e+06    1.97122e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09414e+02   -2.19061e+02    3.67521e+01    3.54942e-06

           Step           Time
      199445000   398890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25359e+03    2.40435e+04    1.64411e+04    1.41540e+03   -4.43277e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11250e+03    1.45809e+05    2.74494e+05   -1.78043e+04   -2.19157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22374e+04   -1.72400e+06    3.51216e+05   -1.37279e+06    1.97126e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10992e+02   -2.17886e+02    2.55778e+01    3.54235e-06

           Step           Time
      199450000   398900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34136e+03    2.35260e+04    1.65137e+04    1.33990e+03   -4.40582e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04935e+03    1.46059e+05    2.75900e+05   -1.78320e+04   -2.19583e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21813e+04   -1.72716e+06    3.48335e+05   -1.37882e+06    1.97136e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08441e+02   -2.18563e+02    2.23961e+01    3.51128e-06

           Step           Time
      199455000   398910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.41721e+03    2.38839e+04    1.65120e+04    1.45867e+03   -4.32446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18406e+03    1.45845e+05    2.71686e+05   -1.78076e+04   -2.18980e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23234e+04   -1.72462e+06    3.50038e+05   -1.37458e+06    1.97146e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09949e+02   -2.17966e+02   -9.05736e+01    3.38289e-06

           Step           Time
      199460000   398920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.69942e+03    2.37234e+04    1.66606e+04    1.45135e+03   -4.32427e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15683e+03    1.45822e+05    2.72590e+05   -1.78662e+04   -2.18993e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23518e+04   -1.72367e+06    3.51477e+05   -1.37219e+06    1.97154e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11223e+02   -2.19401e+02   -2.08009e+01    3.51541e-06

           Step           Time
      199465000   398930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61965e+03    2.38494e+04    1.64972e+04    1.41510e+03   -4.43995e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95386e+03    1.45528e+05    2.73710e+05   -1.78002e+04   -2.18918e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21646e+04   -1.72268e+06    3.51126e+05   -1.37156e+06    1.97157e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10912e+02   -2.17786e+02   -7.24488e+01    3.59926e-06

           Step           Time
      199470000   398940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46347e+03    2.41241e+04    1.63806e+04    1.39700e+03   -4.39247e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00994e+03    1.45579e+05    2.74685e+05   -1.78524e+04   -2.19113e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21436e+04   -1.72360e+06    3.49988e+05   -1.37361e+06    1.97170e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09904e+02   -2.19063e+02    1.52471e+01    3.53346e-06

           Step           Time
      199475000   398950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.75687e+03    2.37743e+04    1.63845e+04    1.35183e+03   -4.32341e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01997e+03    1.45450e+05    2.74484e+05   -1.78052e+04   -2.19034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21070e+04   -1.72313e+06    3.49988e+05   -1.37315e+06    1.97179e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09905e+02   -2.17907e+02   -3.51513e+01    3.56432e-06

           Step           Time
      199480000   398960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30448e+03    2.36055e+04    1.63401e+04    1.37810e+03   -4.36497e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16719e+03    1.46064e+05    2.74584e+05   -1.78098e+04   -2.19349e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23634e+04   -1.72586e+06    3.52811e+05   -1.37305e+06    1.97181e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12404e+02   -2.18019e+02    4.41877e-01    3.69684e-06

           Step           Time
      199485000   398970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49475e+03    2.38395e+04    1.65405e+04    1.37509e+03   -4.35998e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11636e+03    1.45379e+05    2.74659e+05   -1.78023e+04   -2.19067e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21570e+04   -1.72327e+06    3.48630e+05   -1.37464e+06    1.97196e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08702e+02   -2.17838e+02    2.09417e+01    3.51937e-06

           Step           Time
      199490000   398980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27500e+03    2.38171e+04    1.64170e+04    1.43644e+03   -4.46690e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.00257e+03    1.45451e+05    2.76766e+05   -1.78430e+04   -2.19620e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21368e+04   -1.72721e+06    3.50199e+05   -1.37701e+06    1.97203e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10091e+02   -2.18834e+02    4.99183e+01    3.43755e-06

           Step           Time
      199495000   398990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27260e+03    2.37557e+04    1.62882e+04    1.39312e+03   -4.28610e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10254e+03    1.45379e+05    2.72072e+05   -1.77863e+04   -2.18795e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23471e+04   -1.72341e+06    3.51088e+05   -1.37232e+06    1.97204e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10879e+02   -2.17445e+02   -1.10859e+02    3.63465e-06

Writing checkpoint, step 199499000 at Tue Jun 11 12:09:11 2024


           Step           Time
      199500000   399000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44279e+03    2.38833e+04    1.64572e+04    1.37232e+03   -4.35103e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14115e+03    1.45689e+05    2.75236e+05   -1.78172e+04   -2.19073e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22951e+04   -1.72239e+06    3.51482e+05   -1.37090e+06    1.97216e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11228e+02   -2.18202e+02    1.17996e+02    3.73770e-06

           Step           Time
      199505000   399010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45651e+03    2.37456e+04    1.64154e+04    1.35118e+03   -4.19130e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04927e+03    1.45148e+05    2.77042e+05   -1.78421e+04   -2.19307e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22239e+04   -1.72367e+06    3.50879e+05   -1.37279e+06    1.97224e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10693e+02   -2.18810e+02    1.20720e+02    3.74564e-06

           Step           Time
      199510000   399020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.10798e+03    2.36590e+04    1.65647e+04    1.43644e+03   -4.41880e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26692e+03    1.45732e+05    2.71054e+05   -1.77952e+04   -2.18722e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22340e+04   -1.72337e+06    3.50963e+05   -1.37241e+06    1.97228e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10768e+02   -2.17664e+02    5.22589e+00    3.59718e-06

           Step           Time
      199515000   399030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24315e+03    2.37989e+04    1.63376e+04    1.39710e+03   -4.44704e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21502e+03    1.45725e+05    2.73774e+05   -1.78343e+04   -2.19053e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22092e+04   -1.72411e+06    3.51382e+05   -1.37273e+06    1.97240e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11139e+02   -2.18620e+02    3.48255e+01    3.48092e-06

           Step           Time
      199520000   399040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28351e+03    2.37929e+04    1.63765e+04    1.38915e+03   -4.41628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19896e+03    1.45584e+05    2.76129e+05   -1.78290e+04   -2.19488e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23127e+04   -1.72606e+06    3.49778e+05   -1.37628e+06    1.97252e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09719e+02   -2.18490e+02    1.10224e+02    3.61207e-06

           Step           Time
      199525000   399050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48146e+03    2.34810e+04    1.66066e+04    1.37594e+03   -4.46010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12167e+03    1.45406e+05    2.72993e+05   -1.77956e+04   -2.18994e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20470e+04   -1.72469e+06    3.50484e+05   -1.37420e+06    1.97258e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10344e+02   -2.17674e+02   -1.16242e+02    3.49660e-06

           Step           Time
      199530000   399060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42144e+03    2.34633e+04    1.65733e+04    1.31328e+03   -4.44309e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12974e+03    1.45768e+05    2.74990e+05   -1.78183e+04   -2.19412e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21427e+04   -1.72658e+06    3.49877e+05   -1.37671e+06    1.97268e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09807e+02   -2.18228e+02    2.29374e+01    3.51976e-06

           Step           Time
      199535000   399070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.13200e+03    2.36212e+04    1.65867e+04    1.45159e+03   -4.37147e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21227e+03    1.45733e+05    2.75994e+05   -1.78004e+04   -2.19211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22973e+04   -1.72325e+06    3.50214e+05   -1.37304e+06    1.97275e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10105e+02   -2.17790e+02    7.87092e+01    3.60432e-06

           Step           Time
      199540000   399080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25930e+03    2.40068e+04    1.63772e+04    1.31505e+03   -4.41366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09936e+03    1.45355e+05    2.75919e+05   -1.78360e+04   -2.19385e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23055e+04   -1.72546e+06    3.49972e+05   -1.37549e+06    1.97285e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09890e+02   -2.18662e+02    1.26331e+02    3.51468e-06

           Step           Time
      199545000   399090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.59834e+03    2.39114e+04    1.64150e+04    1.43518e+03   -4.33803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07371e+03    1.45361e+05    2.76993e+05   -1.78814e+04   -2.19541e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22705e+04   -1.72558e+06    3.49252e+05   -1.37632e+06    1.97302e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09253e+02   -2.19775e+02    1.15555e+02    3.49398e-06

           Step           Time
      199550000   399100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34865e+03    2.32418e+04    1.63903e+04    1.50684e+03   -4.44124e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27631e+03    1.46096e+05    2.72112e+05   -1.78598e+04   -2.19120e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23138e+04   -1.72621e+06    3.49816e+05   -1.37640e+06    1.97304e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09753e+02   -2.19243e+02   -4.91451e+01    3.58630e-06

           Step           Time
      199555000   399110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31600e+03    2.39181e+04    1.65069e+04    1.44869e+03   -4.44854e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21004e+03    1.45499e+05    2.72363e+05   -1.78506e+04   -2.18800e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22314e+04   -1.72281e+06    3.50999e+05   -1.37181e+06    1.97310e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10800e+02   -2.19020e+02    5.77150e+01    3.51499e-06

           Step           Time
      199560000   399120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25755e+03    2.38387e+04    1.65732e+04    1.37997e+03   -4.44401e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12950e+03    1.45566e+05    2.74262e+05   -1.78548e+04   -2.19184e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21134e+04   -1.72502e+06    3.49540e+05   -1.37548e+06    1.97323e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09508e+02   -2.19121e+02    1.55005e+01    3.53594e-06

           Step           Time
      199565000   399130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44633e+03    2.37831e+04    1.62981e+04    1.35679e+03   -4.49913e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07371e+03    1.45586e+05    2.74753e+05   -1.78323e+04   -2.19327e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21553e+04   -1.72615e+06    3.48742e+05   -1.37741e+06    1.97327e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08801e+02   -2.18571e+02   -4.43681e+01    3.65583e-06

           Step           Time
      199570000   399140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.47056e+03    2.39645e+04    1.65697e+04    1.36553e+03   -4.32475e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15056e+03    1.45512e+05    2.73151e+05   -1.78211e+04   -2.19021e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22835e+04   -1.72389e+06    3.48642e+05   -1.37525e+06    1.97340e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08713e+02   -2.18297e+02   -4.27250e+01    3.56835e-06

           Step           Time
      199575000   399150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61647e+03    2.34683e+04    1.65777e+04    1.32331e+03   -4.36665e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13546e+03    1.45513e+05    2.74972e+05   -1.78600e+04   -2.19398e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21746e+04   -1.72643e+06    3.49451e+05   -1.37698e+06    1.97350e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09429e+02   -2.19250e+02   -2.45057e+01    3.46514e-06

           Step           Time
      199580000   399160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42506e+03    2.39652e+04    1.63724e+04    1.30922e+03   -4.31169e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17416e+03    1.45128e+05    2.74710e+05   -1.78328e+04   -2.19403e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20112e+04   -1.72707e+06    3.50422e+05   -1.37665e+06    1.97354e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10289e+02   -2.18583e+02   -3.54636e+01    3.50459e-06

           Step           Time
      199585000   399170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38160e+03    2.39604e+04    1.66187e+04    1.39862e+03   -4.36456e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04389e+03    1.45551e+05    2.74007e+05   -1.77850e+04   -2.19155e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23289e+04   -1.72441e+06    3.53098e+05   -1.37131e+06    1.97360e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12659e+02   -2.17414e+02   -2.79837e+01    3.52979e-06

           Step           Time
      199590000   399180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37071e+03    2.41549e+04    1.64730e+04    1.51673e+03   -4.33701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.95743e+03    1.44928e+05    2.72442e+05   -1.78044e+04   -2.18872e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22092e+04   -1.72381e+06    3.51116e+05   -1.37270e+06    1.97368e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10904e+02   -2.17888e+02   -1.05859e+02    3.63188e-06

           Step           Time
      199595000   399190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.43472e+03    2.37930e+04    1.63777e+04    1.41441e+03   -4.35839e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13689e+03    1.45397e+05    2.72305e+05   -1.78003e+04   -2.18870e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22639e+04   -1.72373e+06    3.49291e+05   -1.37444e+06    1.97378e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09287e+02   -2.17787e+02   -9.64271e+01    3.61778e-06

           Step           Time
      199600000   399200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36852e+03    2.37946e+04    1.62844e+04    1.38263e+03   -4.43136e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17844e+03    1.45177e+05    2.71953e+05   -1.78368e+04   -2.18770e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20513e+04   -1.72378e+06    3.49783e+05   -1.37399e+06    1.97382e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09723e+02   -2.18681e+02   -4.17788e+01    3.60234e-06

           Step           Time
      199605000   399210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53174e+03    2.39040e+04    1.64485e+04    1.41918e+03   -4.30709e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17942e+03    1.44822e+05    2.75162e+05   -1.78515e+04   -2.19014e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22880e+04   -1.72254e+06    3.52019e+05   -1.37052e+06    1.97386e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11703e+02   -2.19041e+02    4.95356e+01    3.61965e-06

           Step           Time
      199610000   399220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35909e+03    2.38473e+04    1.63810e+04    1.51026e+03   -4.27684e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08350e+03    1.45042e+05    2.73474e+05   -1.77743e+04   -2.18965e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21657e+04   -1.72384e+06    3.50514e+05   -1.37332e+06    1.97400e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10370e+02   -2.17154e+02   -5.00271e+01    3.51940e-06

           Step           Time
      199615000   399230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33148e+03    2.39753e+04    1.62701e+04    1.43098e+03   -4.39366e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10474e+03    1.45225e+05    2.76113e+05   -1.78476e+04   -2.19212e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21476e+04   -1.72377e+06    3.48337e+05   -1.37543e+06    1.97407e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08443e+02   -2.18945e+02    6.41502e+01    3.65440e-06

           Step           Time
      199620000   399240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.63373e+03    2.37731e+04    1.62816e+04    1.35997e+03   -4.27799e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20517e+03    1.45215e+05    2.73446e+05   -1.77721e+04   -2.18799e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23459e+04   -1.72178e+06    3.50409e+05   -1.37137e+06    1.97417e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10277e+02   -2.17100e+02    2.34688e+01    3.60582e-06

           Step           Time
      199625000   399250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53890e+03    2.38366e+04    1.64388e+04    1.40245e+03   -4.25722e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.27975e+03    1.45267e+05    2.72968e+05   -1.78291e+04   -2.18789e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23674e+04   -1.72188e+06    3.49859e+05   -1.37202e+06    1.97424e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09790e+02   -2.18493e+02    2.00116e+01    3.53349e-06

           Step           Time
      199630000   399260.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31779e+03    2.32986e+04    1.63323e+04    1.37603e+03   -4.43956e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15894e+03    1.45550e+05    2.72512e+05   -1.78283e+04   -2.19005e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19722e+04   -1.72580e+06    3.48345e+05   -1.37745e+06    1.97429e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08450e+02   -2.18473e+02    4.64663e+00    3.58588e-06

           Step           Time
      199635000   399270.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42434e+03    2.35468e+04    1.63649e+04    1.34766e+03   -4.27386e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18845e+03    1.45287e+05    2.73573e+05   -1.78489e+04   -2.19129e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22761e+04   -1.72541e+06    3.49551e+05   -1.37586e+06    1.97442e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09518e+02   -2.18978e+02   -6.57063e+00    3.46511e-06

           Step           Time
      199640000   399280.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33664e+03    2.34508e+04    1.64335e+04    1.39833e+03   -4.34596e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16618e+03    1.45502e+05    2.76608e+05   -1.78434e+04   -2.19729e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21637e+04   -1.72842e+06    3.49580e+05   -1.37884e+06    1.97445e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09543e+02   -2.18843e+02    7.25841e+01    3.48638e-06

           Step           Time
      199645000   399290.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55785e+03    2.40280e+04    1.62838e+04    1.33431e+03   -4.45642e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08872e+03    1.45423e+05    2.72725e+05   -1.77814e+04   -2.18877e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21472e+04   -1.72342e+06    3.50797e+05   -1.37262e+06    1.97457e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10621e+02   -2.17327e+02   -5.41145e+01    3.59431e-06

           Step           Time
      199650000   399300.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.62607e+03    2.35287e+04    1.64147e+04    1.37812e+03   -4.27269e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20247e+03    1.45254e+05    2.74550e+05   -1.78295e+04   -2.19137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22003e+04   -1.72432e+06    3.48869e+05   -1.37545e+06    1.97466e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08914e+02   -2.18502e+02   -1.95450e+01    3.57468e-06

           Step           Time
      199655000   399310.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.39533e+03    2.36889e+04    1.63782e+04    1.40736e+03   -4.38032e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04916e+03    1.44976e+05    2.74288e+05   -1.77957e+04   -2.19030e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20408e+04   -1.72425e+06    3.50101e+05   -1.37415e+06    1.97469e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10005e+02   -2.17675e+02    5.90379e+01    3.57306e-06

           Step           Time
      199660000   399320.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36692e+03    2.38733e+04    1.63165e+04    1.33420e+03   -4.30320e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07730e+03    1.45440e+05    2.72275e+05   -1.78058e+04   -2.18679e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19870e+04   -1.72223e+06    3.49048e+05   -1.37318e+06    1.97476e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09073e+02   -2.17922e+02   -2.19413e+01    3.44041e-06

           Step           Time
      199665000   399330.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40450e+03    2.35128e+04    1.61517e+04    1.40811e+03   -4.23865e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18802e+03    1.45026e+05    2.74973e+05   -1.78035e+04   -2.19075e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21673e+04   -1.72396e+06    3.49749e+05   -1.37421e+06    1.97487e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09693e+02   -2.17867e+02    3.20716e+01    3.50976e-06

           Step           Time
      199670000   399340.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37977e+03    2.39594e+04    1.65337e+04    1.45585e+03   -4.44041e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.37892e+03    1.45446e+05    2.76720e+05   -1.78601e+04   -2.19343e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22795e+04   -1.72358e+06    3.50704e+05   -1.37288e+06    1.97500e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10538e+02   -2.19251e+02    2.14516e+02    3.53822e-06

           Step           Time
      199675000   399350.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25219e+03    2.37958e+04    1.64744e+04    1.43495e+03   -4.35803e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21233e+03    1.45493e+05    2.76296e+05   -1.78863e+04   -2.19289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21709e+04   -1.72401e+06    3.50368e+05   -1.37364e+06    1.97509e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10241e+02   -2.19894e+02    2.07111e+02    3.46026e-06

           Step           Time
      199680000   399360.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48377e+03    2.38446e+04    1.63338e+04    1.43072e+03   -4.31701e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11139e+03    1.45081e+05    2.74636e+05   -1.77978e+04   -2.18985e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21452e+04   -1.72290e+06    3.51314e+05   -1.37158e+06    1.97512e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11079e+02   -2.17726e+02   -1.04845e+01    3.77470e-06

           Step           Time
      199685000   399370.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40918e+03    2.42581e+04    1.63250e+04    1.41232e+03   -4.26588e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20273e+03    1.45319e+05    2.73406e+05   -1.78371e+04   -2.18948e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21917e+04   -1.72305e+06    3.50297e+05   -1.37276e+06    1.97528e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10178e+02   -2.18687e+02    1.43500e+01    3.50111e-06

           Step           Time
      199690000   399380.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37775e+03    2.37800e+04    1.63285e+04    1.41644e+03   -4.15694e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06228e+03    1.45088e+05    2.75036e+05   -1.78668e+04   -2.19137e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21872e+04   -1.72412e+06    3.52511e+05   -1.37161e+06    1.97532e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12138e+02   -2.19415e+02    1.19293e+02    3.63551e-06

           Step           Time
      199695000   399390.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35271e+03    2.39032e+04    1.64953e+04    1.47440e+03   -4.35054e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.94310e+03    1.45351e+05    2.73415e+05   -1.78603e+04   -2.19162e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22324e+04   -1.72566e+06    3.49603e+05   -1.37606e+06    1.97542e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09563e+02   -2.19256e+02   -5.96694e+01    3.60312e-06

           Step           Time
      199700000   399400.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30512e+03    2.39463e+04    1.65037e+04    1.37370e+03   -4.29446e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10344e+03    1.45275e+05    2.74300e+05   -1.77897e+04   -2.19203e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22805e+04   -1.72502e+06    3.50429e+05   -1.37460e+06    1.97549e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10295e+02   -2.17529e+02   -7.48724e+01    3.53695e-06

           Step           Time
      199705000   399410.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61824e+03    2.36764e+04    1.62817e+04    1.41514e+03   -4.39492e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10235e+03    1.45226e+05    2.73519e+05   -1.78172e+04   -2.19152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21351e+04   -1.72575e+06    3.50182e+05   -1.37557e+06    1.97560e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10076e+02   -2.18202e+02   -8.41035e+01    3.59317e-06

           Step           Time
      199710000   399420.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27598e+03    2.36416e+04    1.64495e+04    1.47951e+03   -4.25597e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03636e+03    1.45511e+05    2.75568e+05   -1.78654e+04   -2.19313e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20378e+04   -1.72525e+06    3.51311e+05   -1.37394e+06    1.97566e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11076e+02   -2.19383e+02    1.21359e+02    3.56056e-06

           Step           Time
      199715000   399430.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.17622e+03    2.39969e+04    1.63215e+04    1.38392e+03   -4.42073e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08128e+03    1.45277e+05    2.77823e+05   -1.78475e+04   -2.19575e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23623e+04   -1.72560e+06    3.51001e+05   -1.37460e+06    1.97574e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10802e+02   -2.18943e+02    2.08508e+02    3.66274e-06

           Step           Time
      199720000   399440.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46464e+03    2.45732e+04    1.63467e+04    1.31443e+03   -4.38616e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05441e+03    1.44676e+05    2.74090e+05   -1.78195e+04   -2.18788e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22277e+04   -1.72133e+06    3.51789e+05   -1.36954e+06    1.97582e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11500e+02   -2.18258e+02    1.08667e+01    3.72548e-06

           Step           Time
      199725000   399450.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44407e+03    2.39350e+04    1.61653e+04    1.39436e+03   -4.32628e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10545e+03    1.45293e+05    2.75493e+05   -1.78671e+04   -2.19211e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23076e+04   -1.72416e+06    3.49922e+05   -1.37424e+06    1.97592e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09846e+02   -2.19423e+02    5.40825e+01    3.56187e-06

           Step           Time
      199730000   399460.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38561e+03    2.38747e+04    1.65766e+04    1.33689e+03   -4.38056e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22513e+03    1.45543e+05    2.73899e+05   -1.78001e+04   -2.18951e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21949e+04   -1.72266e+06    3.51403e+05   -1.37125e+06    1.97599e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11157e+02   -2.17784e+02    3.60497e+01    3.62682e-06

           Step           Time
      199735000   399470.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19952e+03    2.35692e+04    1.63696e+04    1.38348e+03   -4.41259e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08378e+03    1.45000e+05    2.73773e+05   -1.78432e+04   -2.19054e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22854e+04   -1.72513e+06    3.50051e+05   -1.37508e+06    1.97605e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09961e+02   -2.18837e+02    2.26081e+00    3.73100e-06

           Step           Time
      199740000   399480.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16966e+03    2.33510e+04    1.64686e+04    1.39218e+03   -4.25860e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25510e+03    1.45496e+05    2.74296e+05   -1.78625e+04   -2.19152e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21279e+04   -1.72509e+06    3.49769e+05   -1.37532e+06    1.97616e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09711e+02   -2.19310e+02    6.85725e+01    3.47705e-06

           Step           Time
      199745000   399490.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.53842e+03    2.39872e+04    1.65692e+04    1.43207e+03   -4.44595e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15360e+03    1.45213e+05    2.74491e+05   -1.78063e+04   -2.19046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21639e+04   -1.72316e+06    3.50156e+05   -1.37301e+06    1.97631e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10053e+02   -2.17934e+02    5.47158e+01    3.54835e-06

           Step           Time
      199750000   399500.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42250e+03    2.40730e+04    1.63028e+04    1.40433e+03   -4.30127e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07571e+03    1.45384e+05    2.75470e+05   -1.78303e+04   -2.19202e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20597e+04   -1.72396e+06    3.51431e+05   -1.37253e+06    1.97636e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11182e+02   -2.18521e+02   -1.67180e+01    3.37575e-06

           Step           Time
      199755000   399510.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.55500e+03    2.34861e+04    1.63781e+04    1.45522e+03   -4.38436e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.98693e+03    1.44984e+05    2.75024e+05   -1.78693e+04   -2.19157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21979e+04   -1.72476e+06    3.47382e+05   -1.37738e+06    1.97643e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07597e+02   -2.19478e+02   -2.97485e+01    3.61566e-06

           Step           Time
      199760000   399520.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50561e+03    2.39149e+04    1.64171e+04    1.39730e+03   -4.20160e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    6.93031e+03    1.45485e+05    2.76634e+05   -1.78261e+04   -2.19426e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23059e+04   -1.72469e+06    3.50085e+05   -1.37461e+06    1.97653e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09991e+02   -2.18419e+02    1.05920e+02    3.63617e-06

           Step           Time
      199765000   399530.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54374e+03    2.33217e+04    1.62505e+04    1.30662e+03   -4.29864e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07781e+03    1.45765e+05    2.76068e+05   -1.78365e+04   -2.19644e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20476e+04   -1.72820e+06    3.49314e+05   -1.37888e+06    1.97659e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09308e+02   -2.18674e+02   -7.80292e+01    3.56296e-06

           Step           Time
      199770000   399540.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52561e+03    2.39367e+04    1.63141e+04    1.34906e+03   -4.38820e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16238e+03    1.45579e+05    2.72558e+05   -1.77769e+04   -2.18865e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22522e+04   -1.72314e+06    3.50898e+05   -1.37224e+06    1.97667e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10711e+02   -2.17216e+02   -1.13670e+02    3.53984e-06

           Step           Time
      199775000   399550.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.56168e+03    2.33383e+04    1.64412e+04    1.34928e+03   -4.28744e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12902e+03    1.45024e+05    2.73212e+05   -1.78293e+04   -2.19268e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21321e+04   -1.72761e+06    3.49222e+05   -1.37839e+06    1.97671e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09226e+02   -2.18498e+02   -7.14200e+01    3.61840e-06

           Step           Time
      199780000   399560.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52400e+03    2.39182e+04    1.63599e+04    1.37353e+03   -4.28326e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03282e+03    1.45407e+05    2.74567e+05   -1.78325e+04   -2.18926e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23220e+04   -1.72187e+06    3.51234e+05   -1.37064e+06    1.97681e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11008e+02   -2.18576e+02   -9.35577e+00    3.60762e-06

           Step           Time
      199785000   399570.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.19379e+03    2.39013e+04    1.64324e+04    1.43381e+03   -4.32421e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09701e+03    1.45346e+05    2.77534e+05   -1.78477e+04   -2.19484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23109e+04   -1.72476e+06    3.51587e+05   -1.37318e+06    1.97688e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11321e+02   -2.18948e+02    1.56009e+02    3.68509e-06

           Step           Time
      199790000   399580.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.12118e+03    2.32194e+04    1.64838e+04    1.47825e+03   -4.29767e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19690e+03    1.45957e+05    2.73666e+05   -1.78570e+04   -2.19115e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20538e+04   -1.72513e+06    3.50878e+05   -1.37425e+06    1.97694e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10693e+02   -2.19177e+02    5.46041e+01    3.54434e-06

           Step           Time
      199795000   399590.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49406e+03    2.38258e+04    1.63737e+04    1.32586e+03   -4.27962e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04426e+03    1.45396e+05    2.74033e+05   -1.78664e+04   -2.19076e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23105e+04   -1.72411e+06    3.49150e+05   -1.37496e+06    1.97706e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09163e+02   -2.19406e+02   -3.43321e+01    3.64201e-06

           Step           Time
      199800000   399600.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.02987e+03    2.41188e+04    1.64030e+04    1.46056e+03   -4.29737e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15296e+03    1.45854e+05    2.73482e+05   -1.78536e+04   -2.19034e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21486e+04   -1.72384e+06    3.50940e+05   -1.37290e+06    1.97708e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10747e+02   -2.19091e+02    5.07348e+01    3.57297e-06

           Step           Time
      199805000   399610.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27143e+03    2.36019e+04    1.64260e+04    1.31402e+03   -4.34252e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20234e+03    1.45939e+05    2.74209e+05   -1.78185e+04   -2.19157e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21483e+04   -1.72462e+06    3.50735e+05   -1.37388e+06    1.97717e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10566e+02   -2.18233e+02    3.36342e+01    3.57756e-06

           Step           Time
      199810000   399620.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24050e+03    2.34832e+04    1.64722e+04    1.36585e+03   -4.15180e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26470e+03    1.45968e+05    2.73424e+05   -1.78334e+04   -2.18946e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21293e+04   -1.72309e+06    3.50029e+05   -1.37306e+06    1.97728e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09941e+02   -2.18597e+02    4.59048e+01    3.59318e-06

           Step           Time
      199815000   399630.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.21096e+03    2.39509e+04    1.63756e+04    1.37606e+03   -4.34632e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11667e+03    1.45183e+05    2.75299e+05   -1.78336e+04   -2.19254e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20650e+04   -1.72514e+06    3.49877e+05   -1.37527e+06    1.97736e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09806e+02   -2.18601e+02    8.69856e+01    3.58021e-06

           Step           Time
      199820000   399640.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31563e+03    2.36314e+04    1.65529e+04    1.46690e+03   -4.41083e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10524e+03    1.45383e+05    2.76368e+05   -1.78289e+04   -2.19529e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23203e+04   -1.72638e+06    3.50267e+05   -1.37612e+06    1.97747e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10152e+02   -2.18488e+02    2.33536e+01    3.48140e-06

           Step           Time
      199825000   399650.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.18136e+03    2.38879e+04    1.63418e+04    1.46696e+03   -4.27654e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.20011e+03    1.45415e+05    2.71176e+05   -1.78230e+04   -2.18958e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21686e+04   -1.72584e+06    3.50004e+05   -1.37584e+06    1.97756e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09919e+02   -2.18342e+02   -9.56957e+01    3.60749e-06

           Step           Time
      199830000   399660.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45066e+03    2.36607e+04    1.63376e+04    1.46726e+03   -4.35933e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18097e+03    1.45101e+05    2.73880e+05   -1.78759e+04   -2.19278e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21932e+04   -1.72674e+06    3.46984e+05   -1.37976e+06    1.97766e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.07245e+02   -2.19640e+02    2.84364e+01    3.48444e-06

           Step           Time
      199835000   399670.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48485e+03    2.37263e+04    1.65231e+04    1.26734e+03   -4.38726e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14290e+03    1.45032e+05    2.73799e+05   -1.78192e+04   -2.19024e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21275e+04   -1.72434e+06    3.49703e+05   -1.37464e+06    1.97774e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09652e+02   -2.18251e+02   -4.90623e+01    3.49922e-06

           Step           Time
      199840000   399680.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27255e+03    2.35340e+04    1.65931e+04    1.32246e+03   -4.24785e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07922e+03    1.45111e+05    2.74515e+05   -1.78061e+04   -2.19119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22611e+04   -1.72456e+06    3.50653e+05   -1.37390e+06    1.97781e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10493e+02   -2.17929e+02   -8.09154e+00    3.61802e-06

           Step           Time
      199845000   399690.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51124e+03    2.34491e+04    1.63016e+04    1.40401e+03   -4.20298e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10043e+03    1.45202e+05    2.73196e+05   -1.78337e+04   -2.18893e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19653e+04   -1.72384e+06    3.49547e+05   -1.37429e+06    1.97788e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09514e+02   -2.18606e+02   -2.15168e+01    3.59978e-06

           Step           Time
      199850000   399700.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.54891e+03    2.33646e+04    1.63622e+04    1.43492e+03   -4.31554e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12570e+03    1.45349e+05    2.74957e+05   -1.78265e+04   -2.19119e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23309e+04   -1.72385e+06    3.51123e+05   -1.37273e+06    1.97794e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10909e+02   -2.18429e+02   -3.96201e+01    3.57206e-06

           Step           Time
      199855000   399710.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44224e+03    2.37951e+04    1.64029e+04    1.47385e+03   -4.26290e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.19558e+03    1.45133e+05    2.71719e+05   -1.77947e+04   -2.18752e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22947e+04   -1.72312e+06    3.52040e+05   -1.37108e+06    1.97802e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11722e+02   -2.17651e+02   -9.67810e+01    3.61806e-06

           Step           Time
      199860000   399720.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57560e+03    2.40369e+04    1.62341e+04    1.31207e+03   -4.21774e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14611e+03    1.45310e+05    2.74484e+05   -1.78433e+04   -2.19298e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22891e+04   -1.72565e+06    3.51100e+05   -1.37455e+06    1.97816e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10889e+02   -2.18839e+02    1.35531e+01    3.64889e-06

           Step           Time
      199865000   399730.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.08107e+03    2.38410e+04    1.64081e+04    1.41023e+03   -4.28677e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01272e+03    1.45391e+05    2.71894e+05   -1.78539e+04   -2.18848e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20740e+04   -1.72451e+06    3.50897e+05   -1.37361e+06    1.97818e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10710e+02   -2.19100e+02   -3.82756e+01    3.67572e-06

           Step           Time
      199870000   399740.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24160e+03    2.38875e+04    1.64058e+04    1.29092e+03   -4.46149e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04122e+03    1.45228e+05    2.73651e+05   -1.78065e+04   -2.19172e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21129e+04   -1.72613e+06    3.49048e+05   -1.37708e+06    1.97827e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09073e+02   -2.17938e+02   -5.22402e+01    3.49658e-06

           Step           Time
      199875000   399750.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.30098e+03    2.38727e+04    1.64374e+04    1.42309e+03   -4.29626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06575e+03    1.45698e+05    2.73611e+05   -1.78588e+04   -2.19086e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20407e+04   -1.72457e+06    3.52669e+05   -1.37190e+06    1.97832e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.12279e+02   -2.19219e+02    5.77059e+01    3.65529e-06

           Step           Time
      199880000   399760.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38581e+03    2.37690e+04    1.63941e+04    1.42830e+03   -4.30613e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01911e+03    1.45635e+05    2.76209e+05   -1.78366e+04   -2.19423e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22916e+04   -1.72524e+06    3.48646e+05   -1.37659e+06    1.97844e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08717e+02   -2.18676e+02    8.20516e+01    3.58006e-06

           Step           Time
      199885000   399770.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.61633e+03    2.37998e+04    1.64863e+04    1.41304e+03   -4.29912e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05058e+03    1.44674e+05    2.76059e+05   -1.78015e+04   -2.19354e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21544e+04   -1.72539e+06    3.50118e+05   -1.37527e+06    1.97852e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10020e+02   -2.17817e+02   -2.41099e+01    3.48686e-06

           Step           Time
      199890000   399780.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.31885e+03    2.37673e+04    1.63619e+04    1.42772e+03   -4.29316e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07963e+03    1.45197e+05    2.72342e+05   -1.77975e+04   -2.18911e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22968e+04   -1.72441e+06    3.48987e+05   -1.37542e+06    1.97859e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09018e+02   -2.17720e+02   -1.18783e+02    3.45616e-06

           Step           Time
      199895000   399790.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27780e+03    2.42520e+04    1.64481e+04    1.40081e+03   -4.28004e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13246e+03    1.45223e+05    2.72220e+05   -1.78008e+04   -2.18567e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23143e+04   -1.72049e+06    3.51782e+05   -1.36870e+06    1.97866e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11493e+02   -2.17800e+02   -1.65117e+01    3.47975e-06

           Step           Time
      199900000   399800.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.08005e+03    2.39227e+04    1.63508e+04    1.30678e+03   -4.29321e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.25243e+03    1.45130e+05    2.75538e+05   -1.78685e+04   -2.19228e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21115e+04   -1.72475e+06    3.51681e+05   -1.37307e+06    1.97871e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11403e+02   -2.19458e+02    1.72986e+02    3.44325e-06

           Step           Time
      199905000   399810.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51216e+03    2.34629e+04    1.62510e+04    1.48069e+03   -4.24700e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08213e+03    1.44766e+05    2.73956e+05   -1.78090e+04   -2.18988e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21566e+04   -1.72427e+06    3.47868e+05   -1.37640e+06    1.97878e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08028e+02   -2.18001e+02   -4.98588e+01    3.43296e-06

           Step           Time
      199910000   399820.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25999e+03    2.41345e+04    1.62478e+04    1.40353e+03   -4.31462e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09846e+03    1.44969e+05    2.72118e+05   -1.78165e+04   -2.18630e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22327e+04   -1.72197e+06    3.49257e+05   -1.37271e+06    1.97890e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09257e+02   -2.18183e+02    2.06995e+00    3.46571e-06

           Step           Time
      199915000   399830.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48369e+03    2.31800e+04    1.64249e+04    1.34174e+03   -4.32305e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14990e+03    1.45335e+05    2.75905e+05   -1.78400e+04   -2.19477e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21323e+04   -1.72698e+06    3.49832e+05   -1.37715e+06    1.97894e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09767e+02   -2.18759e+02    7.06027e+01    3.46287e-06

           Step           Time
      199920000   399840.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48591e+03    2.40137e+04    1.64641e+04    1.35975e+03   -4.34187e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18171e+03    1.45107e+05    2.73656e+05   -1.78918e+04   -2.19103e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22924e+04   -1.72470e+06    3.50299e+05   -1.37440e+06    1.97912e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10180e+02   -2.20030e+02    9.61719e+01    3.68163e-06

           Step           Time
      199925000   399850.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.51382e+03    2.39433e+04    1.65123e+04    1.34729e+03   -4.32626e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22220e+03    1.45511e+05    2.74201e+05   -1.78696e+04   -2.19059e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21596e+04   -1.72337e+06    3.50095e+05   -1.37328e+06    1.97921e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09999e+02   -2.19486e+02    8.30564e+01    3.51390e-06

           Step           Time
      199930000   399860.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07989e+03    2.36973e+04    1.64251e+04    1.45889e+03   -4.33185e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12346e+03    1.45785e+05    2.72976e+05   -1.78035e+04   -2.19065e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23379e+04   -1.72490e+06    3.50874e+05   -1.37403e+06    1.97923e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10689e+02   -2.17867e+02    3.90467e+00    3.71554e-06

           Step           Time
      199935000   399870.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26471e+03    2.40615e+04    1.65579e+04    1.32530e+03   -4.34385e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08205e+03    1.44944e+05    2.73439e+05   -1.78085e+04   -2.19008e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21767e+04   -1.72438e+06    3.50930e+05   -1.37345e+06    1.97930e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10738e+02   -2.17988e+02   -2.93067e+01    3.66800e-06

           Step           Time
      199940000   399880.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32888e+03    2.35379e+04    1.64603e+04    1.38159e+03   -4.26501e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.06066e+03    1.45347e+05    2.74223e+05   -1.78348e+04   -2.19196e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23150e+04   -1.72540e+06    3.49243e+05   -1.37616e+06    1.97937e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09245e+02   -2.18632e+02   -5.56538e+01    3.40259e-06

           Step           Time
      199945000   399890.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27101e+03    2.33043e+04    1.64722e+04    1.45979e+03   -4.34003e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16837e+03    1.45695e+05    2.75910e+05   -1.78296e+04   -2.19188e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23093e+04   -1.72346e+06    3.49479e+05   -1.37398e+06    1.97946e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09454e+02   -2.18505e+02    1.42460e+02    3.60504e-06

           Step           Time
      199950000   399900.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.27452e+03    2.33819e+04    1.63030e+04    1.43218e+03   -4.27783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14481e+03    1.44980e+05    2.74602e+05   -1.78445e+04   -2.19289e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22133e+04   -1.72668e+06    3.50363e+05   -1.37632e+06    1.97952e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10236e+02   -2.18870e+02   -6.80202e+00    3.88166e-06

           Step           Time
      199955000   399910.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36434e+03    2.35583e+04    1.64192e+04    1.36084e+03   -4.34529e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.08660e+03    1.45605e+05    2.75432e+05   -1.78181e+04   -2.19291e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21984e+04   -1.72505e+06    3.50633e+05   -1.37442e+06    1.97966e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10476e+02   -2.18223e+02    1.46228e+00    3.37566e-06

           Step           Time
      199960000   399920.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.32887e+03    2.32926e+04    1.64447e+04    1.34112e+03   -4.29060e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.16235e+03    1.44842e+05    2.70634e+05   -1.78084e+04   -2.18749e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21864e+04   -1.72536e+06    3.48749e+05   -1.37661e+06    1.97971e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08808e+02   -2.17985e+02   -1.89314e+02    3.65364e-06

           Step           Time
      199965000   399930.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37618e+03    2.39080e+04    1.64926e+04    1.40781e+03   -4.30938e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13891e+03    1.45299e+05    2.72498e+05   -1.78470e+04   -2.18566e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24727e+04   -1.72022e+06    3.51436e+05   -1.36879e+06    1.97979e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11187e+02   -2.18930e+02   -2.99867e+01    3.64695e-06

           Step           Time
      199970000   399940.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37674e+03    2.37824e+04    1.68248e+04    1.46199e+03   -4.42010e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.02073e+03    1.45231e+05    2.72768e+05   -1.78308e+04   -2.18952e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22162e+04   -1.72409e+06    3.49464e+05   -1.37462e+06    1.97987e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09441e+02   -2.18533e+02   -8.28079e+01    3.55802e-06

           Step           Time
      199975000   399950.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.48862e+03    2.33795e+04    1.64841e+04    1.51149e+03   -4.30444e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15142e+03    1.45151e+05    2.72176e+05   -1.78271e+04   -2.18845e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20425e+04   -1.72420e+06    3.50158e+05   -1.37404e+06    1.97988e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10055e+02   -2.18443e+02   -9.70373e+01    3.62318e-06

           Step           Time
      199980000   399960.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49186e+03    2.34090e+04    1.61839e+04    1.37712e+03   -4.16600e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03522e+03    1.45044e+05    2.73263e+05   -1.78295e+04   -2.19131e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21417e+04   -1.72636e+06    3.50814e+05   -1.37554e+06    1.97999e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10636e+02   -2.18502e+02   -1.48378e+02    3.57155e-06

           Step           Time
      199985000   399970.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40575e+03    2.34091e+04    1.63608e+04    1.32266e+03   -4.43102e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05315e+03    1.45542e+05    2.76580e+05   -1.78504e+04   -2.19484e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21156e+04   -1.72634e+06    3.50338e+05   -1.37600e+06    1.98007e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10214e+02   -2.19015e+02    1.17814e+02    3.46073e-06

           Step           Time
      199990000   399980.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.24807e+03    2.35599e+04    1.63640e+04    1.39021e+03   -4.31382e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.22674e+03    1.45443e+05    2.74780e+05   -1.78388e+04   -2.19171e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22226e+04   -1.72463e+06    3.49577e+05   -1.37505e+06    1.98014e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09541e+02   -2.18731e+02    8.84096e+01    3.47369e-06

           Step           Time
      199995000   399990.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22095e+03    2.39568e+04    1.65360e+04    1.39601e+03   -4.42499e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10827e+03    1.45478e+05    2.75664e+05   -1.78453e+04   -2.19362e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21978e+04   -1.72533e+06    3.48911e+05   -1.37642e+06    1.98024e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08951e+02   -2.18888e+02    7.19578e+01    3.45355e-06

           Step           Time
      200000000   400000.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.29895e+03    2.38535e+04    1.63878e+04    1.39323e+03   -4.30109e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.09741e+03    1.44798e+05    2.73830e+05   -1.78132e+04   -2.19046e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23286e+04   -1.72458e+06    3.48709e+05   -1.37587e+06    1.98031e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08772e+02   -2.18103e+02   -7.53212e+01    3.54935e-06

           Step           Time
      200005000   400010.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34860e+03    2.36849e+04    1.64316e+04    1.43711e+03   -4.42449e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13821e+03    1.45076e+05    2.75303e+05   -1.78378e+04   -2.19312e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22408e+04   -1.72573e+06    3.50812e+05   -1.37491e+06    1.98038e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10634e+02   -2.18707e+02    2.91397e+01    3.70500e-06

           Step           Time
      200010000   400020.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.34759e+03    2.38573e+04    1.63573e+04    1.35365e+03   -4.24783e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11554e+03    1.44993e+05    2.74504e+05   -1.78311e+04   -2.19251e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24399e+04   -1.72562e+06    3.49955e+05   -1.37566e+06    1.98051e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09875e+02   -2.18542e+02   -1.23338e+01    3.44691e-06

           Step           Time
      200015000   400030.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.25531e+03    2.38766e+04    1.63387e+04    1.24726e+03   -4.27199e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.15571e+03    1.44862e+05    2.77040e+05   -1.78557e+04   -2.19504e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22299e+04   -1.72616e+06    3.49820e+05   -1.37634e+06    1.98057e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09756e+02   -2.19143e+02    1.45462e+02    3.46899e-06

           Step           Time
      200020000   400040.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.49417e+03    2.36873e+04    1.63690e+04    1.42623e+03   -4.32578e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12795e+03    1.45273e+05    2.72735e+05   -1.78005e+04   -2.18794e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21989e+04   -1.72276e+06    3.49277e+05   -1.37348e+06    1.98063e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09275e+02   -2.17793e+02   -9.05211e+01    3.80842e-06

           Step           Time
      200025000   400050.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.07751e+03    2.36042e+04    1.63270e+04    1.42965e+03   -4.26545e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18796e+03    1.45343e+05    2.74882e+05   -1.78300e+04   -2.19309e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21746e+04   -1.72616e+06    3.49859e+05   -1.37630e+06    1.98068e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09790e+02   -2.18513e+02    9.94567e+00    3.40319e-06

           Step           Time
      200030000   400060.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.50890e+03    2.39674e+04    1.63312e+04    1.41172e+03   -4.38463e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.05368e+03    1.45848e+05    2.72766e+05   -1.78465e+04   -2.19033e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21064e+04   -1.72457e+06    3.50298e+05   -1.37427e+06    1.98077e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10179e+02   -2.18918e+02   -1.92076e+01    3.55764e-06

           Step           Time
      200035000   400070.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.28023e+03    2.39018e+04    1.63163e+04    1.45501e+03   -4.33676e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.26404e+03    1.45832e+05    2.74867e+05   -1.77996e+04   -2.19320e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21684e+04   -1.72525e+06    3.49155e+05   -1.37609e+06    1.98091e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09167e+02   -2.17770e+02   -8.06250e+00    3.44109e-06

           Step           Time
      200040000   400080.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26941e+03    2.33528e+04    1.62681e+04    1.33196e+03   -4.24556e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.11774e+03    1.45778e+05    2.73176e+05   -1.78292e+04   -2.19201e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.24778e+04   -1.72631e+06    3.49366e+05   -1.37695e+06    1.98094e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09353e+02   -2.18494e+02   -2.06665e+01    3.54550e-06

           Step           Time
      200045000   400090.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.26905e+03    2.40067e+04    1.63997e+04    1.32148e+03   -4.29299e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.31419e+03    1.44940e+05    2.75558e+05   -1.78034e+04   -2.19136e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21223e+04   -1.72352e+06    3.49682e+05   -1.37384e+06    1.98110e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09634e+02   -2.17864e+02    1.12950e+02    3.59668e-06

           Step           Time
      200050000   400100.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.57859e+03    2.38891e+04    1.61041e+04    1.45055e+03   -4.30330e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.07174e+03    1.45180e+05    2.73813e+05   -1.78286e+04   -2.19109e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.19715e+04   -1.72516e+06    3.51259e+05   -1.37390e+06    1.98108e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11030e+02   -2.18481e+02   -2.62830e+01    3.60954e-06

           Step           Time
      200055000   400110.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.52474e+03    2.39392e+04    1.66351e+04    1.36988e+03   -4.27306e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14479e+03    1.45240e+05    2.73008e+05   -1.78373e+04   -2.18956e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21435e+04   -1.72367e+06    3.50495e+05   -1.37317e+06    1.98123e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10354e+02   -2.18694e+02   -8.56424e+00    3.40159e-06

           Step           Time
      200060000   400120.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.38266e+03    2.38711e+04    1.62568e+04    1.32196e+03   -4.30759e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.10966e+03    1.44684e+05    2.72045e+05   -1.77888e+04   -2.18744e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22192e+04   -1.72365e+06    3.49514e+05   -1.37413e+06    1.98128e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09485e+02   -2.17508e+02   -1.01812e+02    3.68581e-06

           Step           Time
      200065000   400130.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37037e+03    2.37351e+04    1.62238e+04    1.36830e+03   -4.19946e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13910e+03    1.45633e+05    2.74204e+05   -1.78499e+04   -2.19301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21517e+04   -1.72623e+06    3.52295e+05   -1.37394e+06    1.98138e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.11948e+02   -2.19002e+02    2.72767e+01    3.55664e-06

           Step           Time
      200070000   400140.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.42386e+03    2.35047e+04    1.63661e+04    1.41619e+03   -4.32520e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.28501e+03    1.45158e+05    2.74290e+05   -1.78204e+04   -2.19127e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21191e+04   -1.72486e+06    3.49417e+05   -1.37544e+06    1.98145e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09399e+02   -2.18280e+02    3.27286e+01    3.57070e-06

           Step           Time
      200075000   400150.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.46562e+03    2.37249e+04    1.67119e+04    1.43751e+03   -4.37058e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.01233e+03    1.45487e+05    2.73643e+05   -1.78307e+04   -2.19121e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22511e+04   -1.72468e+06    3.49396e+05   -1.37528e+06    1.98157e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09380e+02   -2.18532e+02    2.29368e+01    3.58710e-06

           Step           Time
      200080000   400160.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36203e+03    2.38813e+04    1.62163e+04    1.35852e+03   -4.36078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14991e+03    1.45257e+05    2.74404e+05   -1.78042e+04   -2.19161e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20786e+04   -1.72507e+06    3.49827e+05   -1.37524e+06    1.98161e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09762e+02   -2.17884e+02    1.63154e+01    3.66255e-06

           Step           Time
      200085000   400170.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35368e+03    2.35481e+04    1.63673e+04    1.39775e+03   -4.25001e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04447e+03    1.45436e+05    2.77066e+05   -1.78170e+04   -2.19573e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22002e+04   -1.72638e+06    3.48478e+05   -1.37790e+06    1.98169e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08568e+02   -2.18197e+02    6.94604e+01    3.55613e-06

           Step           Time
      200090000   400180.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.33830e+03    2.32942e+04    1.61974e+04    1.34337e+03   -4.35115e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.14439e+03    1.45691e+05    2.73793e+05   -1.78113e+04   -2.19082e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20938e+04   -1.72508e+06    3.49398e+05   -1.37568e+06    1.98174e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09382e+02   -2.18057e+02    1.54789e+01    3.62246e-06

           Step           Time
      200095000   400190.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.16011e+03    2.37522e+04    1.62366e+04    1.39325e+03   -4.33489e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13385e+03    1.45541e+05    2.75260e+05   -1.78059e+04   -2.19481e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21880e+04   -1.72729e+06    3.48699e+05   -1.37859e+06    1.98185e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08764e+02   -2.17925e+02   -3.96740e+00    3.54839e-06

           Step           Time
      200100000   400200.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.09490e+03    2.35076e+04    1.62244e+04    1.37751e+03   -4.24619e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.34669e+03    1.45706e+05    2.74458e+05   -1.78066e+04   -2.19123e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21774e+04   -1.72439e+06    3.49388e+05   -1.37500e+06    1.98190e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09373e+02   -2.17943e+02    1.25334e+02    3.50043e-06

           Step           Time
      200105000   400210.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.40504e+03    2.35418e+04    1.64224e+04    1.40333e+03   -4.27190e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.03704e+03    1.45511e+05    2.73731e+05   -1.78291e+04   -2.19138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21419e+04   -1.72529e+06    3.48018e+05   -1.37727e+06    1.98202e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08160e+02   -2.18492e+02   -6.10079e+01    3.55883e-06

           Step           Time
      200110000   400220.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.36304e+03    2.35934e+04    1.62795e+04    1.38198e+03   -4.22624e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.21672e+03    1.45355e+05    2.72245e+05   -1.78387e+04   -2.18962e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21953e+04   -1.72506e+06    3.50793e+05   -1.37427e+06    1.98211e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10618e+02   -2.18728e+02   -3.31789e+01    3.36552e-06

           Step           Time
      200115000   400230.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.22316e+03    2.34904e+04    1.63282e+04    1.47984e+03   -4.40432e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.17989e+03    1.45427e+05    2.73626e+05   -1.78086e+04   -2.19122e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.21922e+04   -1.72549e+06    3.49580e+05   -1.37591e+06    1.98215e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09543e+02   -2.17991e+02   -4.35135e+01    3.36592e-06

           Step           Time
      200120000   400240.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.45020e+03    2.33593e+04    1.62979e+04    1.33080e+03   -4.39229e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.04724e+03    1.44914e+05    2.74673e+05   -1.78435e+04   -2.19301e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22662e+04   -1.72691e+06    3.47884e+05   -1.37902e+06    1.98224e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08042e+02   -2.18846e+02   -3.77866e+01    3.55088e-06

           Step           Time
      200125000   400250.00000

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.35351e+03    2.35185e+04    1.65248e+04    1.39254e+03   -4.33800e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.18694e+03    1.45593e+05    2.73016e+05   -1.78387e+04   -2.19064e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.20080e+04   -1.72523e+06    3.48811e+05   -1.37642e+06    1.98230e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.08863e+02   -2.18727e+02   -1.70642e+01    3.50552e-06



Received the INT signal, stopping within 100 steps

           Step           Time
      200126300   400252.60000

Writing checkpoint, step 200126300 at Tue Jun 11 12:22:57 2024


   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.44390e+03    2.40854e+04    1.64751e+04    1.45595e+03   -4.33078e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.12419e+03    1.45295e+05    2.72569e+05   -1.78096e+04   -2.18889e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.23279e+04   -1.72325e+06    3.49401e+05   -1.37385e+06    1.98237e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.09385e+02   -2.18015e+02   -7.93841e+01    3.50602e-06


Energy conservation over simulation part #2 of length 14744.8 ns, time 385508 to 400253 ns
  Conserved energy drift: 6.07e-05 kJ/mol/ps per atom


	<======  ###############  ==>
	<====  A V E R A G E S  ====>
	<==  ###############  ======>

	Statistics over 7372401 steps using 73725 frames

   Energies (kJ/mol)
           Bond            U-B    Proper Dih.  Improper Dih.      CMAP Dih.
    8.37748e+03    2.36894e+04    1.63362e+04    1.39442e+03   -4.28047e+03
          LJ-14     Coulomb-14        LJ (SR)  Disper. corr.   Coulomb (SR)
    7.13395e+03    1.45316e+05    2.74088e+05   -1.78282e+04   -2.19138e+06
   Coul. recip.      Potential    Kinetic En.   Total Energy  Conserved En.
    1.22107e+04   -1.72494e+06    3.50099e+05   -1.37484e+06    1.92271e+06
    Temperature Pres. DC (bar) Pressure (bar)   Constr. rmsd
    3.10003e+02   -2.18470e+02    3.55064e-01    0.00000e+00

          Box-X          Box-Y          Box-Z
    1.24261e+01    1.24261e+01    8.78661e+00

   Total Virial (kJ/mol)
    1.16527e+05    7.63988e+01   -2.38000e+01
    7.63407e+01    1.16818e+05    9.27938e+01
   -2.39111e+01    9.24984e+01    1.16716e+05

   Pressure (bar)
    4.84577e-02   -9.92901e-01   -9.23592e-01
   -9.91479e-01   -5.49158e-01   -1.31251e+00
   -9.20873e-01   -1.30527e+00    1.56589e+00

      T-Protein  T-non-Protein
    3.10076e+02    3.09996e+02


	M E G A - F L O P S   A C C O U N T I N G

 NB=Group-cutoff nonbonded kernels    NxN=N-by-N cluster Verlet kernels
 RF=Reaction-Field  VdW=Van der Waals  QSTab=quadratic-spline table
 W3=SPC/TIP3p  W4=TIP4p (single or pairs)
 V&F=Potential and force  V=Potential only  F=Force only

 Computing:                               M-Number         M-Flops  % Flops
-----------------------------------------------------------------------------
 Pair Search distance check          910951.834848     8198566.514     0.0
 NxN Ewald Elec. + LJ [F]         936791530.621056 61828241020.990    98.0
 NxN Ewald Elec. + LJ [V&F]         9462668.803648  1012505561.990     1.6
 1,4 nonbonded interactions          200706.244824    18063562.034     0.0
 Shift-X                               9823.856250       58943.137     0.0
 Bonds                                38970.511686     2299260.189     0.0
 Propers                             172705.865826    39549643.274     0.1
 Impropers                            12186.578853     2534808.401     0.0
 Virial                               98270.539095     1768869.704     0.0
 Stop-CM                               9823.856250       98238.562     0.0
 Calc-Ekin                           196474.726500     5304817.615     0.0
 Lincs                                37613.989902     2256839.394     0.0
 Lincs-Mat                           195781.480956      783125.924     0.0
 Constraint-V                        981944.833992     8837503.506     0.0
 Constraint-Vir                       94433.199690     2266396.793     0.0
 Settle                              302238.951396   111828412.017     0.2
 CMAP                                  4924.763868     8372098.576     0.0
 Urey-Bradley                        138726.469617    25386943.940     0.0
-----------------------------------------------------------------------------
 Total                                             63078354612.561   100.0
-----------------------------------------------------------------------------


     R E A L   C Y C L E   A N D   T I M E   A C C O U N T I N G

On 1 MPI rank, each using 20 OpenMP threads

 Computing:          Num   Num      Call    Wall time         Giga-Cycles
                     Ranks Threads  Count      (s)         total sum    %
-----------------------------------------------------------------------------
 Neighbor search        1   20      73725     276.623      19969.912   2.8
 Launch GPU ops.        1   20    7372401     332.036      23970.258   3.4
 Force                  1   20    7372401    1132.044      81724.276  11.5
 Wait PME GPU gather    1   20    7372401    1291.793      93256.830  13.1
 Reduce GPU PME F       1   20    7372401     462.715      33404.220   4.7
 Wait GPU NB local                           1312.118      94724.090  13.4
 NB X/F buffer ops.     1   20   14671077    1586.113     114504.306  16.1
 Write traj.            1   20       1486       5.207        375.929   0.1
 Update                 1   20    7372401     556.010      40139.374   5.7
 Constraints            1   20    7372401     619.750      44740.856   6.3
 Rest                                        2252.175     162588.490  22.9
-----------------------------------------------------------------------------
 Total                                       9826.586     709398.541 100.0
-----------------------------------------------------------------------------

               Core t (s)   Wall t (s)        (%)
       Time:   196531.707     9826.586     2000.0
                         2h43:46
                 (ns/day)    (hour/ns)
Performance:      129.643        0.185
Finished mdrun on rank 0 Tue Jun 11 12:22:57 2024

